4-(2-Fluoro-5-trifluoromethyl-phenyl)-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester

HCID 59205221
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Basic information

Standard SMILES
CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1-c1cc(C(F)(F)F)ccc1F
InChIKey
GADOEWIZVOOQBI-UHFFFAOYSA-N
Molecular formula
C20H12F7NO2
Average molar mass
431.3 g/mol

Names & identifiers

Preferred name
4-(2-Fluoro-5-trifluoromethyl-phenyl)-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester
IUPAC
ethyl 4-[2-fluoro-5-(trifluoromethyl)phenyl]-7-(trifluoromethyl)quinoline-3-carboxylate

Names & synonyms

4-(2-fluoro-5-trifluoromethyl-phenyl)-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl esterSCHEMBL3054468

Database identifiers

PubChem CID
59205221

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
4
Heavy atoms
30

Related reactions

3 records
New reaction record

Compound notes

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