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2,2,3,3,3-Pentafluoropropyl Methyl Ether

fo-9a2e409c8256ba30

Identity

Type
Neutral molecule
CAS
378-16-5
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
64 across every transformer

Structure

Structure diagram for 2,2,3,3,3-Pentafluoropropyl Methyl Ether

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZYAMKYAPIQPWQR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3
IUPAC name chemrof:IUPAC_name 2,2,3,3,3-Pentafluoropropyl Methyl Ether, 1,1,1,2,2-pentafluoro-3-methoxy-propane, 1,1,1,2,2-pentafluoro-3-methoxypropane, 1,1,1,2,2-pentakis(fluoranyl)-3-methoxy-propane
Molecular formula chemrof:molecular_formula C4H5F5O
Molecular mass chemrof:molecular_mass 164.073
Monoisotopic mass chemrof:monoisotopic_mass 164.026056
SMILES string chemrof:smiles_string COCC(F)(F)C(F)(F)F

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=378-16-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.236.049 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20379765 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.093G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2776015 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q66084472 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
9ae3dcb0-e251-11e6-bf01-fe55135034f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9ae3d828-e251-11e6-bf01-fe55135034f3 Environmental → Air → Long-term EF 3.1 kg 2
9ae3db66-e251-11e6-bf01-fe55135034f3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d4aae984-cf8c-41ac-9c4f-91400809852c Environmental → Air → Unknown EF 3.1 kg 0
ebb52e91-e070-4ae9-8557-89a83f1cf8f3 Environmental → Ground → Agricultural EF 3.1 kg 0
777cc00e-d6f8-4b07-9dd8-798385936a90 Environmental → Ground → Non-agricultural EF 3.1 kg 0
2fcd1c99-4494-452b-919e-8cccc42a56b7 Environmental → Ground → Unknown EF 3.1 kg 0
33b8d4aa-26ef-4866-981c-761bede9d702 Environmental → Water → Long-term EF 3.1 kg 0
471c3260-a825-49fc-8976-c587853d1647 Environmental → Water → Ocean EF 3.1 kg 0
0b93e1f4-34e0-4291-8027-c935fc420cbc Environmental → Water → Surface water EF 3.1 kg 0
fac7c13d-22dd-4179-a83f-9d0d093e13f5 Environmental → Water → Unknown EF 3.1 kg 0
ea3de8fe-b0ad-4fb9-8843-5438f643d657 deprecated Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
4eead42f-ddce-492c-941d-2b828e4eed3f deprecated Environmental → Air → Long-term EF 3.1 kg 0
5298c09a-3c23-4edd-b70c-c29c39d529cb deprecated Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0

History

Everything that changed this substance (64 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9a2e409c8256ba30",
  "prefLabel": [
    {
      "@value": "2,2,3,3,3-Pentafluoropropyl Methyl Ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "HFE-365mcf3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    },
    {
      "@value": "Ether, 2,2,3,3,3-Pentafluoropropyl methyl-, HFE-365mcf3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "carry_member_names",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "source_flow_name"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H5F5O"
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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        },
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    },
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      "rdfs:label": "InChI",
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      ],
      "provenance": [
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          ]
        },
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        },
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,2,3,3,3-Pentafluoropropyl Methyl Ether",
        "1,1,1,2,2-pentafluoro-3-methoxy-propane",
        "1,1,1,2,2-pentafluoro-3-methoxypropane",
        "1,1,1,2,2-pentakis(fluoranyl)-3-methoxy-propane"
      ],
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      },
      "attested_by": {
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          "opsin_iupac"
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        "1,1,1,2,2-pentafluoro-3-methoxypropane": [
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        "1,1,1,2,2-pentakis(fluoranyl)-3-methoxy-propane": [
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        }
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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      "provenance": [
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      },
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  },
  "references": [
    {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
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    },
    {
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  "created_from": {
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    "seed_uuid": "0b93e1f4-34e0-4291-8027-c935fc420cbc",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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      "provenance": {
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  "classifications": {
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  "origin_qualifier": null,
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  "parent_intervention_id": null,
  "@type": [
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  ]
}

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