N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide

CAS: 392721-37-8

Formula: C11H9ClF3NO2

SMILES: CC(=O)CC(=O)NC1=CC=C(Cl)C(=C1)C(F)(F)F

IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide

InChI: InChI=1S/C11H9ClF3NO2/c1-6(17)4-10(18)16-7-2-3-9(12)8(5-7)11(13,14)15/h2-3,5H,4H2,1H3,(H,16,18)

Composition: C (47.25%), H (3.24%), Cl (12.68%), F (20.38%), N (5.01%), O (11.44%)

Molar Mass: 279.64

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	279.0273907
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GNYIJZMBLZXJEJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.59
Topological Polar Surface Area	46.17
Polarizability	22.21
Ring Count	1
Rotatable Bond Count	4

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