5-methyl-2-(trifluoromethyl)benzonitrile

5-methyl-2-(trifluoromethyl)benzonitrile

CAS: 886502-61-0

Formula: C9H6F3N

SMILES: CC1=CC=C(C(=C1)C#N)C(F)(F)F

IUPAC: 5-methyl-2-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C9H6F3N/c1-6-2-3-8(9(10,11)12)7(4-6)5-13/h2-4H,1H3

Composition: C (58.38%), H (3.27%), F (30.78%), N (7.57%)

Molar Mass: 185.149

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.045233686
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WLMSAHJSXOSVNE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.79
Topological Polar Surface Area	23.79
Polarizability	15.08
Ring Count	1
Rotatable Bond Count	1

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