2-methyl-2-[4-(trifluoromethyl)phenyl]propanenitrile

2-methyl-2-[4-(trifluoromethyl)phenyl]propanenitrile

CAS: 32445-87-7

Formula: C11H10F3N

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

IUPAC: 2-methyl-2-[4-(trifluoromethyl)phenyl]propanenitrile

InChI: InChI=1S/C11H10F3N/c1-10(2,7-15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,1-2H3

Composition: C (61.97%), H (4.73%), F (26.73%), N (6.57%)

Molar Mass: 213.203

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.076533815
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	YEBSQXKOGNKPMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.39
Topological Polar Surface Area	23.79
Polarizability	18.62
Ring Count	1
Rotatable Bond Count	2

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