1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl chloride

1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl chloride

CAS: 306934-79-2

Formula: C11H11ClF3N3O

SMILES: FC(F)(F)C1=CC=NC(=N1)N1CCC(CC1)C(Cl)=O

IUPAC: 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl chloride

InChI: InChI=1S/C11H11ClF3N3O/c12-9(19)7-2-5-18(6-3-7)10-16-4-1-8(17-10)11(13,14)15/h1,4,7H,2-3,5-6H2

Composition: C (44.99%), H (3.78%), Cl (12.07%), F (19.41%), N (14.31%), O (5.45%)

Molar Mass: 293.67

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	293.0542742
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LFSUSYMMCMOVRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.94
Topological Polar Surface Area	46.09
Polarizability	23.35
Ring Count	2
Rotatable Bond Count	3

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