(E)-3-cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl-phenyl]-acrylic acid

HCID 69691685

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

Related reactions

6 records

Compound notes

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