Basic information
- Standard SMILES
[2H]OC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
YPJUNDFVDDCYIH-DYCDLGHISA-N- Molecular formula
- C4HF7O2
- Average molar mass
- 215.04 g/mol
- Monoisotopic mass
- 214.99275315
Names & identifiers
- Preferred name
- Heptafluorobutan(~2~H)oic acid
- IUPAC
- deuterio 2,2,3,3,4,4,4-heptafluorobutanoate
Names & synonyms
Heptafluorobutan(~2~H)oic acidDTXSID20892762RefChem:347191DTXCID701284799NOCAS_892762deuteroheptafluorobutyric acid
Database identifiers
- PubChem CID
- 129763501
- DTXSID
DTXSID20892762
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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