2-fluoro-6-(trifluoromethyl)benzonitrile

2-fluoro-6-(trifluoromethyl)benzonitrile

CAS: 133116-83-3

Formula: C8H3F4N

SMILES: FC1=C(C#N)C(=CC=C1)C(F)(F)F

IUPAC: 2-fluoro-6-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H

Composition: C (50.81%), H (1.60%), F (40.18%), N (7.41%)

Molar Mass: 189.113

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.020161753
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OGQYJDHTHFAPRN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.97
Topological Polar Surface Area	23.79
Polarizability	13.27
Ring Count	1
Rotatable Bond Count	1

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