tert-butyl 4-(2,4-difluorobenzoyl)piperidine-1-carboxylate

tert-butyl 4-(2,4-difluorobenzoyl)piperidine-1-carboxylate

CAS: 1159825-99-6

Formula: C17H21F2NO3

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

IUPAC: tert-butyl 4-(2,4-difluorobenzoyl)piperidine-1-carboxylate

InChI: InChI=1S/C17H21F2NO3/c1-17(2,3)23-16(22)20-8-6-11(7-9-20)15(21)13-5-4-12(18)10-14(13)19/h4-5,10-11H,6-9H2,1-3H3

Composition: C (62.76%), H (6.51%), F (11.68%), N (4.31%), O (14.75%)

Molar Mass: 325.356

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	325.148949866
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FXYXJKWVTFZJGZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.32
Topological Polar Surface Area	46.61
Polarizability	31.25
Ring Count	2
Rotatable Bond Count	4

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