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Home > Fluorides > 1260761-54-3
1260761-54-3 | Carbamic acid, N-[[3-(trifluoromethyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1260761-54-3 Catalog No: AG000R5C MDL No:
Product Description
Catalog Number:
AG000R5C
Chemical Name:
Carbamic acid, N-[[3-(trifluoromethyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1260761-54-3
Molecular Formula:
C12H21F3N2O2
Molecular Weight:
282.3025
IUPAC Name:
tert-butyl N-[[3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-6-8-4-5-16-7-9(8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChI Key:
DSVLUHRWMIGJHS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCNCC1C(F)(F)F
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.156g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.307g/mol
Monoisotopic Mass:
282.156g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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