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2-(2,6-difluorophenyl)propanenitrile

2-(2,6-difluorophenyl)propanenitrile

CAS: 149680-18-2

Formula: C9H7F2N

SMILES: CC(C#N)C1=C(F)C=CC=C1F

IUPAC: 2-(2,6-difluorophenyl)propanenitrile

InChI: InChI=1/C9H7F2N/c1-6(5-12)9-7(10)3-2-4-8(9)11/h2-4,6H,1H3

Composition: C (64.67%), H (4.22%), F (22.73%), N (8.38%)

Molar Mass: 167.159

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 167.054655555
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey UNLFKQPALDWERQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.35
Topological Polar Surface Area 23.79
Polarizability 15.1
Ring Count 1
Rotatable Bond Count 1

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