perfluorooctanoic acid | SBID = 1222 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 17.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8HF15O2 | ||
| M / g/mol: | 414.068388 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: surfactant
- Name: perfluorooctanoic acid
- Preferred Abbreviation: perfluorooctanoic acid
- IUPAC Name:
- CAS:
- CID: -404
- InChiKey: SNGREZUHAYWORS-UHFFFAOYSA-N
- InChi: InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
- CanoSmiles: OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- IsoSmiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)=O
