Basic information
- Standard SMILES
Cc1nnnn1-c1ccc(/C(=C\C2CCCC2)C(=O)O)cc1C(F)(F)F- InChIKey
LXLMZIHLHGTYIJ-MDWZMJQESA-N- Molecular formula
- C17H17F3N4O2
- Average molar mass
- 366.34 g/mol
- Monoisotopic mass
- 366.13036028
Names & identifiers
- Preferred name
- (E)-3-cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl-phenyl]-acrylic acid
- IUPAC
- (E)-3-cyclopentyl-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]prop-2-enoic acid
Names & synonyms
(E)-3-cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl-phenyl]-acrylic acidSCHEMBL6174183(E)-3-cyclopentyl-2-[4-(5-methyl-tetrazol- 1 -yl)-3 -trifluoromethyl-phenyl]-acrylic acid
Database identifiers
- PubChem CID
- 69691685
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 549
Related reactions
6 records
Compound notes
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