3-chloro-N-(3,4-difluorophenyl)propanamide

3-chloro-N-(3,4-difluorophenyl)propanamide

CAS: 132669-28-4

Formula: C9H8ClF2NO

SMILES: FC1=C(F)C=C(NC(=O)CCCl)C=C1

IUPAC: 3-chloro-N-(3,4-difluorophenyl)propanamide

InChI: InChI=1S/C9H8ClF2NO/c10-4-3-9(14)13-6-1-2-7(11)8(12)5-6/h1-2,5H,3-4H2,(H,13,14)

Composition: C (49.22%), H (3.67%), Cl (16.14%), F (17.30%), N (6.38%), O (7.28%)

Molar Mass: 219.62

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.0262479
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	VBUIQHWEHAHIKQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.81
Topological Polar Surface Area	29.1
Polarizability	18.43
Ring Count	1
Rotatable Bond Count	3

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