3,5-Bis(trifluoromethyl)cinnamonitrile

HCID 2736176
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Basic information

Standard SMILES
N#CC=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
XZINYAZSRZTYPY-UHFFFAOYSA-N
Molecular formula
C11H5F6N
Average molar mass
265.15 g/mol

Names & identifiers

Preferred name
3,5-Bis(trifluoromethyl)cinnamonitrile
IUPAC
3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile

Names & synonyms

3,5-bis(trifluoromethyl)cinnamonitrile3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrileC11H5F6NCDS1_000685Maybridge1_002973DivK1c_001725SCHEMBL35944223-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Propenenitrile

Database identifiers

PubChem CID
2736176

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
18

Related reactions

3 records
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Compound notes

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