trans-2-[2-Oxo-2-(4-trifluoromethylphenyl)ethyl]cyclopentane-1-carboxylic acid
Basic information
- CAS
733740-75-5- Standard SMILES
O=C(C[C@@H]1CCC[C@H]1C(=O)O)c1ccc(C(F)(F)F)cc1- InChIKey
UGFUCGXBLWHIFS-CMPLNLGQSA-N- Molecular formula
- C15H15F3O3
- Average molar mass
- 300.27 g/mol
Names & identifiers
- Preferred name
- trans-2-[2-Oxo-2-(4-trifluoromethylphenyl)ethyl]cyclopentane-1-carboxylic acid
- IUPAC
- cis-(1R,2S)-2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxylic acid
- English name
- trans-2-[2-Oxo-2-(4-trifluoromethylphenyl)ethyl]cyclopentane-1-carboxylic acid
- Molecular formula
- C15H15F3O3
- Molecular weight
- 300.27
Names & synonyms
733740-75-5TRANS-2-[2-OXO-2-(4-TRIFLUOROMETHYLPHENYL)ETHYL]CYCLOPENTANE-1-CARBOXYLIC ACIDMFCD06799093(1R,2S)-2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxylic acidTRANS-2-[2-OXO-2-(4-TRIFLUOROMETHYLPHENYL)ETHYL]CYCLOPENTANE-1-CARBOXYLICACID(1R,2S)-2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)cyclopentane-1-carboxylic acidtrans-2-[2-Oxo-2-(4-trifluoromethylphenyl)-ethyl]cyclopentane-1-carboxylic acidAKOS016017585DB-189537(1R,2S)-2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentanecarboxylic acidCyclopentanecarboxylic acid, 2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-, (1R,2S)-rel-
Database identifiers
- CAS
733740-75-5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 423.2 · 423.2±45.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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