Basic information
- Standard SMILES
O=C(O)C(F)(F)CCCCOCCc1ccccc1- InChIKey
AFKNNNPUMKOLRW-UHFFFAOYSA-N- Molecular formula
- C14H18F2O3
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.12240076
Names & identifiers
- Preferred name
- 2,2-Difluoro-6-[2-phenylethoxy]hexanoic acid
- IUPAC
- 2,2-difluoro-6-(2-phenylethoxy)hexanoic acid
Names & synonyms
2,2-Difluoro-6-[2-phenylethoxy]hexanoic acidSCHEMBL8670822
Database identifiers
- PubChem CID
- 19082214
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 263
Related reactions
2 records
Compound notes
Loading…