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2,6-difluoro-3-(trifluoromethyl)benzonitrile

2,6-difluoro-3-(trifluoromethyl)benzonitrile

CAS: 1806333-92-5

Formula: C8H2F5N

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

IUPAC: 2,6-difluoro-3-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H2F5N/c9-6-2-1-5(8(11,12)13)7(10)4(6)3-14/h1-2H

Composition: C (46.40%), H (0.97%), F (45.87%), N (6.76%)

Molar Mass: 207.103

Atom Count: 16

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 207.010739883
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey MSZXOQCUAPUNSY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.19
Topological Polar Surface Area 23.79
Polarizability 13.24
Ring Count 1
Rotatable Bond Count 1

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