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

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

CAS No.:
1334414-67-3
Catalog Number:
AG01DDJV
Molecular Formula:
C17H23F2NO2
Molecular Weight:
311.3668
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Product Description
Catalog Number:
AG01DDJV
Chemical Name:
tert-butyl 4-benzyl-3,3-difluoropiperidine-1-carboxylate
CAS Number:
1334414-67-3
Molecular Formula:
C17H23F2NO2
Molecular Weight:
311.3668
MDL Number:
MFCD19686801
IUPAC Name:
tert-butyl 4-benzyl-3,3-difluoropiperidine-1-carboxylate
InChI:
InChI=1S/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
InChI Key:
HSRYRLANXPSZTB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C(C1)(F)F)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.17g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.373g/mol
Monoisotopic Mass:
311.17g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties