Ethyl 3-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate

HCID 21986402
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Basic information

Standard SMILES
CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)cc1CBr
InChIKey
HBGIGOJEPWWSBQ-UHFFFAOYSA-N
Molecular formula
C15H12BrF3O2S
Average molar mass
393.2 g/mol
Monoisotopic mass
391.96935

Names & identifiers

Preferred name
Ethyl 3-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate
IUPAC
ethyl 3-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate

Names & synonyms

ethyl 3-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylateSCHEMBL5861849

Database identifiers

PubChem CID
21986402

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
22

Related reactions

5 records
New reaction record

Compound notes

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