Basic information
- CAS
824393-34-2- Standard SMILES
O=C(O)C(F)(F)COC(F)(F)C(F)(F)C(F)(F)F- InChIKey
IKFQRTBISNNUPN-UHFFFAOYSA-N- Molecular formula
- C6H3F9O3
- Average molar mass
- 294.07 g/mol
- Monoisotopic mass
- 293.99384741
Names & identifiers
- Preferred name
- 2,2-Difluoro-3-(heptafluoropropoxy)propanoic acid
- IUPAC
- 2,2-difluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
Names & synonyms
824393-34-22,2-Difluoro-3-(heptafluoropropoxy)propanoic acidCF3CF2CF2OCH2CF2COOHDTXSID60837950IKFQRTBISNNUPN-UHFFFAOYSA-N
Database identifiers
- CAS
824393-34-2- PubChem CID
- 71418656
- DTXSID
DTXSID60837950
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
4 records
Compound notes
Loading…