1-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)piperidine

1-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)piperidine

CAS: 2060749-85-9

Formula: C14H12ClF6NO

SMILES: FC(F)(F)C1CC(CN(C1)C(=O)C1=CC=C(Cl)C=C1)C(F)(F)F

IUPAC: 1-(4-chlorobenzoyl)-3,5-bis(trifluoromethyl)piperidine

InChI: InChI=1/C14H12ClF6NO/c15-11-3-1-8(2-4-11)12(23)22-6-9(13(16,17)18)5-10(7-22)14(19,20)21/h1-4,9-10H,5-7H2

Composition: C (46.75%), H (3.36%), Cl (9.86%), F (31.69%), N (3.89%), O (4.45%)

Molar Mass: 359.7

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	359.0511607
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ISFFIYCFUVRVLY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.38
Topological Polar Surface Area	20.31
Polarizability	26.31
Ring Count	2
Rotatable Bond Count	3

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90%	<2 Days	2060749-85-9		$51.35-$86.31$51.35$63.37$86.31