Basic information
- Standard SMILES
C[C@@H](O[C@H]1CC[C@@H](CN2CCC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
FBAFMVCJABJZQO-LDWUQXNOSA-N- Molecular formula
- C28H30F7NO3
- Average molar mass
- 561.5 g/mol
Names & identifiers
- Preferred name
- 1-[[2alpha-(4-Fluorophenyl)-3beta-[[(R)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl]oxy]cyclopentane-1beta-yl]methyl]piperidine-3alpha-carboxylic acid
- IUPAC
- (3R)-1-[[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxylic acid
Names & synonyms
SCHEMBL52153111-[[2alpha-(4-Fluorophenyl)-3beta-[[(R)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl]oxy]cyclopentane-1beta-yl]methyl]piperidine-3alpha-carboxylic acid1-(s)-(1-(r)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(r)-(4-fluorophenyl)-3-(r)-(((r)-3-carboxypiperidin-1-yl)methyl)-cyclopentane1-(S)-(1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-2-(R)-(4-fluorophenyl)-3-(R)-(((R)-3-carboxypiperidin-1-yl)methyl)cyclopentane
Database identifiers
- PubChem CID
- 11599366
- Nikkaji
- J2.384.566K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 792
Related reactions
1 records
Compound notes
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