5-(difluoromethyl)-2-fluorobenzonitrile

5-(difluoromethyl)-2-fluorobenzonitrile

CAS: 934175-58-3

Formula: C8H4F3N

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

IUPAC: 5-(difluoromethyl)-2-fluorobenzonitrile

InChI: InChI=1S/C8H4F3N/c9-7-2-1-5(8(10)11)3-6(7)4-12/h1-3,8H

Composition: C (56.15%), H (2.36%), F (33.31%), N (8.19%)

Molar Mass: 171.122

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.029583622
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZUOWBZBLZCXHIY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.08
Topological Polar Surface Area	23.79
Polarizability	13.32
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	934175-58-3		$39.09-$295.07$39.09$65.57$110.97$295.07