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4-fluoro-2-(trifluoromethyl)benzonitrile

4-fluoro-2-(trifluoromethyl)benzonitrile

CAS: 194853-86-6

Formula: C8H3F4N

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

IUPAC: 4-fluoro-2-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)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 LCCPQUYXMFXCAC-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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