tert-butyl 4-benzyl-3,3-difluoropiperidine-1-carboxylate

tert-butyl 4-benzyl-3,3-difluoropiperidine-1-carboxylate

CAS: 1334414-67-3

Formula: C17H23F2NO2

SMILES: CC(C)(C)OC(=O)N1CCC(CC2=CC=CC=C2)C(F)(F)C1

IUPAC: tert-butyl 4-benzyl-3,3-difluoropiperidine-1-carboxylate

InChI: InChI=1/C17H23F2NO2/c1-16(2,3)22-15(21)20-10-9-14(17(18,19)12-20)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3

Composition: C (65.58%), H (7.45%), F (12.20%), N (4.50%), O (10.28%)

Molar Mass: 311.373

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	311.169685311
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HSRYRLANXPSZTB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.12
Topological Polar Surface Area	29.54
Polarizability	31.12
Ring Count	2
Rotatable Bond Count	4

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