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CHEBI:45892 - trifluoroacetic acid
| Formula | C2HF3O2 |
| Net Charge | 0 |
| Average Mass | 114.022 |
| Monoisotopic Mass | 113.99286 |
| SMILES | O=C(O)C(F)(F)F |
| InChI | InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7) |
| InChIKey | DTQVDTLACAAQTR-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| Application: | reagent A substance used in a chemical reaction to detect, measure, examine, or produce other substances. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| trifluoroacetic acid (CHEBI:45892) has functional parent acetic acid (CHEBI:15366) |
| trifluoroacetic acid (CHEBI:45892) has role human xenobiotic metabolite (CHEBI:76967) |
| trifluoroacetic acid (CHEBI:45892) has role reagent (CHEBI:33893) |
| trifluoroacetic acid (CHEBI:45892) is a fluoroalkanoic acid (CHEBI:35551) |
| trifluoroacetic acid (CHEBI:45892) is conjugate acid of trifluoroacetate (CHEBI:27110) |
| Incoming Relation(s) |
| N,O-bis(trimethylsilyl)trifluoroacetamide (CHEBI:85067) has functional parent trifluoroacetic acid (CHEBI:45892) |
| trifluoroacetamide (CHEBI:145723) has functional parent trifluoroacetic acid (CHEBI:45892) |
| trifluoroacetyl chloride (CHEBI:29138) has functional parent trifluoroacetic acid (CHEBI:45892) |
| trifluoroacetate (CHEBI:27110) is conjugate base of trifluoroacetic acid (CHEBI:45892) |
| trifluoroacetyl group (CHEBI:45888) is substituent group from trifluoroacetic acid (CHEBI:45892) |
| IUPAC Name |
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| trifluoroacetic acid |
| Synonyms | Source |
|---|---|
| acide trifluoroacétique | ChEBI |
| CF3COOH | NIST Chemistry WebBook |
| perfluoroacetic acid | NIST Chemistry WebBook |
| TFA | ChEBI |
| Trifluoressigsäure | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0014118 | HMDB |
| Trifluoroacetic_acid | Wikipedia |
| Citations |
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