(4-(Trifluoromethyl)benzyl)malononitrile

HCID 10656743
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Basic information

Standard SMILES
N#CC(C#N)Cc1ccc(C(F)(F)F)cc1
InChIKey
SLNGZEZYPUSGBF-UHFFFAOYSA-N
Molecular formula
C11H7F3N2
Average molar mass
224.18 g/mol
Monoisotopic mass
224.05613272

Names & identifiers

Preferred name
(4-(Trifluoromethyl)benzyl)malononitrile
IUPAC
2-[[4-(trifluoromethyl)phenyl]methyl]propanedinitrile

Names & synonyms

(4-(trifluoromethyl)benzyl)malononitrileSCHEMBL46573872-(p-trifluoromethylbenzyl)-malononitrile2-(4-(trifluoromethyl)benzyl)malononitrile

Database identifiers

PubChem CID
10656743
Nikkaji
J1.449.215A

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
47.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16

Related reactions

42 records
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Compound notes

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