2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile

2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile

CAS: 302911-99-5

Formula: C10H5F6N

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

IUPAC: 2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile

InChI: InChI=1S/C10H5F6N/c11-9(12,13)7-1-2-8(10(14,15)16)6(5-7)3-4-17/h1-2,5H,3H2

Composition: C (47.45%), H (1.99%), F (45.03%), N (5.53%)

Molar Mass: 253.147

Atom Count: 22

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.032618143
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PMNBXHKKVPKJER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.29
Topological Polar Surface Area	23.79
Polarizability	16.65
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	302911-99-5		$217.35-$399.51$217.35$399.51

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	302911-99-5		$51.35-$86.31$51.35$63.37$86.31

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	302911-99-5		$124.74-$187.11$124.74$187.11