3-[3-(trifluoromethyl)phenyl]propanenitrile

3-[3-(trifluoromethyl)phenyl]propanenitrile

CAS: 95096-06-3

Formula: C10H8F3N

SMILES: FC(F)(F)C1=CC(CCC#N)=CC=C1

IUPAC: 3-[3-(trifluoromethyl)phenyl]propanenitrile

InChI: InChI=1S/C10H8F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7H,2,4H2

Composition: C (60.30%), H (4.05%), F (28.62%), N (7.03%)

Molar Mass: 199.176

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.060883751
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WQFANOZTLIFBLX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.92
Topological Polar Surface Area	23.79
Polarizability	16.81
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	95096-06-3		$155.25-$690.35$155.25$231.84$690.35