N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide

CAS: 90357-53-2

Formula: C12H9F3N2O

SMILES: CC(=C)C(=O)NC1=CC=C(C#N)C(=C1)C(F)(F)F

IUPAC: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide

InChI: InChI=1S/C12H9F3N2O/c1-7(2)11(18)17-9-4-3-8(6-16)10(5-9)12(13,14)15/h3-5H,1H2,2H3,(H,17,18)

Composition: C (56.70%), H (3.57%), F (22.42%), N (11.02%), O (6.29%)

Molar Mass: 254.212

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.066697407
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HHWDZLSGDDXUSM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.62
Topological Polar Surface Area	52.89
Polarizability	21.64
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	90357-53-2		Quote Only

CLEARSYNTH LABS

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	90357-53-2		$46.92-$180.54$46.92$55.08$88.74$118.32$180.54