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

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

CAS No.:
1334418-85-7
Catalog Number:
AG01DDJ2
Molecular Formula:
C16H21F2NO2
Molecular Weight:
297.3402
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Product Description
Catalog Number:
AG01DDJ2
Chemical Name:
tert-butyl 3,3-difluoro-4-phenylpiperidine-1-carboxylate
CAS Number:
1334418-85-7
Molecular Formula:
C16H21F2NO2
Molecular Weight:
297.3402
MDL Number:
MFCD20261282
IUPAC Name:
tert-butyl 3,3-difluoro-4-phenylpiperidine-1-carboxylate
InChI:
InChI=1S/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
InChI Key:
SRTMBQYLRUYJCV-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C(C1)(F)F)c1ccccc1)OC(C)(C)C
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.154g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.346g/mol
Monoisotopic Mass:
297.154g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties