Basic information
- Standard SMILES
Cc1c(C(=O)O)cc(-c2ccccc2OC(F)(F)F)n1C[C@@H]1CCCO1- InChIKey
RCMBBAXXJNZTAV-LBPRGKRZSA-N- Molecular formula
- C18H18F3NO4
- Average molar mass
- 369.3 g/mol
- Monoisotopic mass
- 369.11879254
Names & identifiers
- Preferred name
- 2-methyl-1-[(S)-1-(tetrahydro-furan-2-yl)methyl]-5-(2-trifluoromethoxy-phenyl)-1H-pyrrole-3-carboxylic acid
- IUPAC
- 2-methyl-1-[[(2S)-oxolan-2-yl]methyl]-5-[2-(trifluoromethoxy)phenyl]pyrrole-3-carboxylic acid
Names & synonyms
2-methyl-1-[(S)-1-(tetrahydro-furan-2-yl)methyl]-5-(2-trifluoromethoxy-phenyl)-1H-pyrrole-3-carboxylic acidSCHEMBL4372532
Database identifiers
- PubChem CID
- 69019981
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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