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Methyl 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate
| Flow Object ID | fo-e1f81ae63d18cecf | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers |
958445-54-0
|
||||||
| EC Numbers |
640-001-9
|
||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 1fba1056-b14f-4022-8dd0-d9d9bdd06274 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
VOKIUIIBMBYXNU-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C8H4F12O4/c1-22-3(21)4(10,11)2(9)23-6(14,15)5(12,13)7(16,17)24-8(18,19)20/h2H,1H3
|
| IUPAC name |
2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid methyl ester, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propionic acid methyl ester, methyl 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate, methyl 2,2,3-tris(fluoranyl)-3-[1,1,2,2,3,3-hexakis(fluoranyl)-3-(trifluoromethyloxy)propoxy]propanoate
|
| Molecular formula |
C8H4F12O4
|
| Molecular mass |
392.092
|
| Monoisotopic mass |
391.991797
|
| SMILES |
COC(=O)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(F)F, COC(=O)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
|
References
- https://chem.echa.europa.eu/100.167.623
- https://commonchemistry.cas.org/detail?cas_rn=958445-54-0
- https://comptox.epa.gov/dashboard/DTXSID60893410
- https://pubchem.ncbi.nlm.nih.gov/compound/131727912
- https://www.wikidata.org/wiki/Q82871297
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
d3193514… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
6f06469a… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
debfb2e2… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
bd38c6e2… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
30b45e16… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
9ce0a654… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
e52e8cf3… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
1fba1056… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
961dc1b1… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
49eff60f… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
a7d92f82… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
1fba1056… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
1fba1056… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
30b45e16… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
30b45e16… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
49eff60f… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
49eff60f… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
6f06469a… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
6f06469a… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
961dc1b1… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
961dc1b1… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
9ce0a654… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
9ce0a654… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
a7d92f82… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
a7d92f82… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
ae53c2f8… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
ae53c2f8… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
bd38c6e2… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
bd38c6e2… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
d3193514… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
d3193514… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
dce0d176… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
dce0d176… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
debfb2e2… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
debfb2e2… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
e52e8cf3… |
altLabel |
— |
[{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf |
e52e8cf3… |
cas_match_labels |
— |
{"958445-54-0":"exactMatch"} |
group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-e1f81ae63d18cecf",
"prefLabel": [
{
"@value": "Methyl 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H4F12O4"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131727912"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(=O)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(F)F"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
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