Home Other Building Blocks 2,2,2-trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate

CAS No.:
1221725-80-9
Catalog Number:
AG01A80Y
Molecular Formula:
C8H11F3N4O2
Molecular Weight:
252.1937
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Product Description
Catalog Number:
AG01A80Y
Chemical Name:
2,2,2-trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate
CAS Number:
1221725-80-9
Molecular Formula:
C8H11F3N4O2
Molecular Weight:
252.1937
MDL Number:
MFCD15209574
IUPAC Name:
2,2,2-trifluoroethyl N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]carbamate
InChI:
InChI=1S/C8H11F3N4O2/c1-5(6-14-12-4-15(6)2)13-7(16)17-3-8(9,10)11/h4-5H,3H2,1-2H3,(H,13,16)
InChI Key:
RMLODLFOEBGNDG-UHFFFAOYSA-N
SMILES:
CC(c1nncn1C)NC(=O)OCC(F)(F)F
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.083g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.197g/mol
Monoisotopic Mass:
252.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties