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Home > Fluorides > 1620012-51-2
1620012-51-2 | Carbamic acid, N-[(3S,5R)-5-(trifluoromethyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1620012-51-2 Catalog No: AG001SMI MDL No:MFCD22415260
Product Description
Catalog Number:
AG001SMI
Chemical Name:
Carbamic acid, N-[(3S,5R)-5-(trifluoromethyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1620012-51-2
Molecular Formula:
C11H19F3N2O2
Molecular Weight:
268.2760
MDL Number:
MFCD22415260
IUPAC Name:
tert-butyl N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m1/s1
InChI Key:
CUNVTZVWJLBPQS-SFYZADRCSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CNC[C@@H](C1)C(F)(F)F
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.28g/mol
Monoisotopic Mass:
268.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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