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Home > Fluorides > 1419101-52-2
1419101-52-2 | Carbamic acid, N-[3-(trifluoromethyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1419101-52-2 Catalog No: AG001HDE MDL No:
Product Description
Catalog Number:
AG001HDE
Chemical Name:
Carbamic acid, N-[3-(trifluoromethyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1419101-52-2
Molecular Formula:
C11H19F3N2O2
Molecular Weight:
268.2760
IUPAC Name:
tert-butyl N-[3-(trifluoromethyl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-10(11(12,13)14)5-4-6-15-7-10/h15H,4-7H2,1-3H3,(H,16,17)
InChI Key:
QIHFXCPQJVUENH-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCCNC1)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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