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tert-butyl 3,3-difluoro-4-phenylpiperidine-1-carboxylate

tert-butyl 3,3-difluoro-4-phenylpiperidine-1-carboxylate

CAS: 1334418-85-7

Formula: C16H21F2NO2

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

IUPAC: tert-butyl 3,3-difluoro-4-phenylpiperidine-1-carboxylate

InChI: InChI=1/C16H21F2NO2/c1-15(2,3)21-14(20)19-10-9-13(16(17,18)11-19)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3

Composition: C (64.63%), H (7.12%), F (12.78%), N (4.71%), O (10.76%)

Molar Mass: 297.346

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 297.154035246
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SRTMBQYLRUYJCV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.52
Topological Polar Surface Area 29.54
Polarizability 29.36
Ring Count 2
Rotatable Bond Count 3

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