tert-butyl 4-({2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl}carbamoyl)piperidine-1-carboxylate

tert-butyl 4-({2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl}carbamoyl)piperidine-1-carboxylate

Formula: C20H24F4N2O4

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC(=O)C1=CC(=C(F)C=C1)C(F)(F)F

IUPAC: tert-butyl 4-({2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl}carbamoyl)piperidine-1-carboxylate

InChI: InChI=1S/C20H24F4N2O4/c1-19(2,3)30-18(29)26-8-6-12(7-9-26)17(28)25-11-16(27)13-4-5-15(21)14(10-13)20(22,23)24/h4-5,10,12H,6-9,11H2,1-3H3,(H,25,28)

Composition: C (55.55%), H (5.59%), F (17.57%), N (6.48%), O (14.80%)

Molar Mass: 432.416

Atom Count: 54

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	432.167219913
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QJMZCTXXDQBKAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.88
Topological Polar Surface Area	75.71
Polarizability	37.71
Ring Count	2
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C20H24F4N2O4		Quote Only