Trifluoroacetic acid | SBID = 909 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 67.2 | ||
| Sum Formula: | C2HF3O2 | ||
| M / g/mol: | 114.02 | ||
| Complexity: | 83.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: acid
- Name: Trifluoroacetic acid
- Preferred Abbreviation: Trifluoroacetic acid
- IUPAC Name: 2,2,2-trifluoroacetic acid
- CAS: 76-05-1
- CID: 6422
- InChiKey: DTQVDTLACAAQTR-UHFFFAOYSA-N
- InChi: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
- CanoSmiles: C(=O)(C(F)(F)F)O
- IsoSmiles: C(=O)(C(F)(F)F)O
