N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide

N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide

CAS: 175277-96-0

Formula: C10H7F3N2O

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

IUPAC: N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide

InChI: InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)

Composition: C (52.64%), H (3.09%), F (24.98%), N (12.28%), O (7.01%)

Molar Mass: 228.174

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.051047342
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OBFBGHKUUCGSPC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.62
Topological Polar Surface Area	52.89
Polarizability	18.3
Ring Count	1
Rotatable Bond Count	2

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