Home Carboxys tert-butyl 8,8-difluoro-2-azabicyclo[5.1.0]octane-2-carboxylate

tert-butyl 8,8-difluoro-2-azabicyclo[5.1.0]octane-2-carboxylate

CAS No.:
1704724-77-5
Catalog Number:
AG01ABPC
Molecular Formula:
C12H19F2NO2
Molecular Weight:
247.2816
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Product Description
Catalog Number:
AG01ABPC
Chemical Name:
tert-butyl 8,8-difluoro-2-azabicyclo[5.1.0]octane-2-carboxylate
CAS Number:
1704724-77-5
Molecular Formula:
C12H19F2NO2
Molecular Weight:
247.2816
MDL Number:
MFCD27500674
IUPAC Name:
tert-butyl 8,8-difluoro-2-azabicyclo[5.1.0]octane-2-carboxylate
InChI:
InChI=1S/C12H19F2NO2/c1-11(2,3)17-10(16)15-7-5-4-6-8-9(15)12(8,13)14/h8-9H,4-7H2,1-3H3
InChI Key:
LQWORBKDDPYQJD-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC2C1C2(F)F)OC(C)(C)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.138g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.286g/mol
Monoisotopic Mass:
247.138g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties