CC(C)(C)OC(=O)NNC1=CC=C(C=C1)C(F)(F)F
Nombre: tert-butyl N-[4-(trifluoromethyl)anilino]carbamate
SMILES: CC(C)(C)OC(=O)NNC1=CC=C(C=C1)C(F)(F)F

Molecular Processing

Molecular formula
C12H15F3N2O2
Molecular weight
276.26
Exact mass
276.1086
XLogP
3.56
TPSA
50.36
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.44

Supplementary Information

InChIKey: PGGUCHZPGDQJLS-UHFFFAOYSA-N
Sinónimos
tert-Butyl 2-(4-(trifluoromethyl)phenyl)hydrazinecarboxylateSCHEMBL15540929
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