Fluenetil
fo-e596fc0095d423ca
Identity
- Type
- Neutral molecule
- CAS
- 4301-50-2
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
11- 2-Fluoroethyl 2-(4-phenylphenyl)acetate
- 4-Biphenylacetic acid, 2-fluoroethyl ester
- [1,1′-Biphenyl]-4-acetic acid, 2-fluoroethyl ester
- Acetic acid, 4-biphenylyl-, 2-fluoroethyl ester
- Ethanol, 2-fluoro-, 4-biphenylacetate
- Fluenethyl
- Fulenetil
- Lambrol
- Mytrol
- TH 367-1
- β-Fluoroethyl 4-biphenylacetate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XAERLJMOUYEBAB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H15FO2/c17-10-11-19-16(18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2 |
| IUPAC name chemrof:IUPAC_name | 2-Fluoroethyl 2-(4-phenylphenyl)acetate |
| Molecular formula chemrof:molecular_formula | C16H15FO2 |
| Molecular mass chemrof:molecular_mass | 258.292 |
| Monoisotopic mass chemrof:monoisotopic_mass | 258.105608, 258.10561 |
| SMILES string chemrof:smiles_string | O=C(Cc1ccc(-c2ccccc2)cc1)OCCF |
Known URLs
12Where 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=4301-50-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82161 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9058103 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S8K34P1L02 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.702E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19031 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19031 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:2780 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/20288 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2588 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q5462651 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Fluenetil | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 83873a76-6578-4e68-9d6e-39a83d10730a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b1b5779a-7bad-4a0a-8540-ad1eeff5ee40 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| bf1798b6-625c-4825-9eba-9868bfe4dce5 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 69885033-8ea9-4d4a-9baa-695f0c3f2697 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2d3fc8ef-582b-4db0-8b30-41d2f6d235b5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| ca16fe1c-9b20-4cf0-980a-88c397574f53 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 343765e3-b123-4769-b9b5-c2bb843b9085 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 2807dfb6-5657-4e7e-af61-4c28c37dd9bd | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 9e88fa5c235e688702f23129a91e4bebc47e81f3 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| c5c8bc36-faf0-4d43-a004-1b5a8130ffec | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6efce724-9c31-49f4-bec3-a9cd83e9e292 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 50720394-10e5-4256-bb6b-b9f716c7968e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 1c41ed88-ab3b-4293-be46-161491824dc2 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| fe0df2b4-a0ab-46bf-9e33-5707904ee439 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_82161"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1c41ed88-ab3b-4293-be46-161491824dc2",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
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],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"4301-50-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=4301-50-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=4301-50-2"
}
],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "cas_numbers"
}
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},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
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]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works