4-Bromo-3-(trifluoromethyl)phenylacetonitrile

HCID 45933702

Basic information

Standard SMILES
N#CCc1ccc(Br)c(C(F)(F)F)c1
InChIKey
RGGFAFIBVXMQSY-UHFFFAOYSA-N
Molecular formula
C9H5BrF3N
Average molar mass
264.04 g/mol

Names & identifiers

Preferred name
4-Bromo-3-(trifluoromethyl)phenylacetonitrile
IUPAC
2-[4-bromo-3-(trifluoromethyl)phenyl]acetonitrile

Names & synonyms

4-Bromo-3-(trifluoromethyl)phenylacetonitrile1159512-69-22-[4-bromo-3-(trifluoromethyl)phenyl]acetonitrileMFCD120264832-(4-bromo-3-(trifluoromethyl)phenyl)acetonitrile2-Bromo-5-(cyanomethyl)benzotrifluorideSCHEMBL12332127SBB102736AKOS025393492PS-7341CS-0268781EN300-1932613
Show more names
2-[4-bromo-3-(trifluoromethyl)phenyl]ethanenitrile

Database identifiers

PubChem CID
45933702

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Related reactions

6 records

Compound notes

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