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Home > Fluorides > 1255098-97-5
1255098-97-5 | Carbamic acid, N-[2-(trifluoromethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1255098-97-5 Catalog No: AG000NRN MDL No:MFCD17926360
Product Description
Catalog Number:
AG000NRN
Chemical Name:
Carbamic acid, N-[2-(trifluoromethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1255098-97-5
Molecular Formula:
C11H19F3N2O2
Molecular Weight:
268.2760
MDL Number:
MFCD17926360
IUPAC Name:
tert-butyl N-[2-(trifluoromethyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-7-4-5-15-8(6-7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChI Key:
IHMWVWBSRVQKQQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCNC(C1)C(F)(F)F
Properties
Complexity:
300
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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