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Home Carboxys tert-butyl 3,3-difluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl 3,3-difluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

CAS No.:
2101206-79-3
Catalog Number:
AG01DDJG
Molecular Formula:
C11H16F5NO3
Molecular Weight:
305.2417
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Product Description
Catalog Number:
AG01DDJG
Chemical Name:
tert-butyl 3,3-difluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CAS Number:
2101206-79-3
Molecular Formula:
C11H16F5NO3
Molecular Weight:
305.2417
MDL Number:
MFCD30343812
IUPAC Name:
tert-butyl 3,3-difluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H16F5NO3/c1-8(2,3)20-7(18)17-5-4-9(19,11(14,15)16)10(12,13)6-17/h19H,4-6H2,1-3H3
InChI Key:
IXYHNGDUMGISFM-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C(C1)(F)F)(O)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.105g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.245g/mol
Monoisotopic Mass:
305.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties