Trifluoroacetic acid
Chemical Information
Trifluoroacetic acid is a monocarboxylic acid that is the trifluoro derivative of acetic acid. It has a role as a reagent and a human xenobiotic metabolite. It is functionally related to an acetic acid. It is a conjugate acid of a trifluoroacetate.
| CAS Number | 76-05-1 |
| PubChem CID | 6422 |
| IUPAC Name | 2,2,2-trifluoroacetic acid |
| Molecular Formula | C2HF3O2 |
| Molecular Weight | 114.02 |
| XLogP | 0.9 |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 83 |
| Property | Value |
|---|---|
| Molecular Weight | 114.02 |
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.99286376 |
| Monoisotopic Mass | 113.99286376 |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 83.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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