2-bromo-N-[2-(trifluoromethyl)phenyl]butanamide

2-bromo-N-[2-(trifluoromethyl)phenyl]butanamide

CAS: 401577-72-8

Formula: C11H11BrF3NO

SMILES: CCC(Br)C(=O)NC1=C(C=CC=C1)C(F)(F)F

IUPAC: 2-bromo-N-[2-(trifluoromethyl)phenyl]butanamide

InChI: InChI=1/C11H11BrF3NO/c1-2-8(12)10(17)16-9-6-4-3-5-7(9)11(13,14)15/h3-6,8H,2H2,1H3,(H,16,17)

Composition: C (42.60%), H (3.58%), Br (25.77%), F (18.38%), N (4.52%), O (5.16%)

Molar Mass: 310.114

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	308.997611
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	WXSHRCARXLHQGZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.65
Topological Polar Surface Area	29.1
Polarizability	23.03
Ring Count	1
Rotatable Bond Count	4

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