Basic information
- Standard SMILES
CC(C)C(C=Cc1ccc(C(F)(F)F)cc1F)C(=O)O- InChIKey
KRDAWALCHHYSPH-UHFFFAOYSA-N- Molecular formula
- C14H14F4O2
- Average molar mass
- 290.25 g/mol
Names & identifiers
- Preferred name
- 4-(2-Fluoro-4-trifluoromethylphenyl)-2-isopropyl-3-butenoic acid
- IUPAC
- 4-[2-fluoro-4-(trifluoromethyl)phenyl]-2-propan-2-ylbut-3-enoic acid
Names & synonyms
4-(2-fluoro-4-trifluoromethylphenyl)-2-isopropyl-3-butenoic acidSCHEMBL11313993SCHEMBL11314004
Database identifiers
- PubChem CID
- 54009262
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
2 records
Compound notes
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