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1-(4-fluorophenyl)cyclohexane-1-carbonitrile

1-(4-fluorophenyl)cyclohexane-1-carbonitrile

CAS: 71486-43-6

Formula: C13H14FN

SMILES: FC1=CC=C(C=C1)C1(CCCCC1)C#N

IUPAC: 1-(4-fluorophenyl)cyclohexane-1-carbonitrile

InChI: InChI=1S/C13H14FN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-9H2

Composition: C (76.82%), H (6.94%), F (9.35%), N (6.89%)

Molar Mass: 203.26

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 203.111027618
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CXHLRVDEACWSNN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.64
Topological Polar Surface Area 23.79
Polarizability 21.98
Ring Count 2
Rotatable Bond Count 1

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