3,5-bis(trifluoromethyl)benzonitrile

3,5-bis(trifluoromethyl)benzonitrile

CAS: 27126-93-8

Formula: C9H3F6N

SMILES: FC(F)(F)C1=CC(=CC(=C1)C#N)C(F)(F)F

IUPAC: 3,5-bis(trifluoromethyl)benzonitrile

InChI: InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H

Composition: C (45.21%), H (1.26%), F (47.67%), N (5.86%)

Molar Mass: 239.12

Atom Count: 19

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.016968079
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	CZKHHAOIHXHOSR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.73
Topological Polar Surface Area	23.79
Polarizability	15.04
Ring Count	1
Rotatable Bond Count	2

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