C1=C(C(=CC(=C1C(=O)N=C=O)Cl)F)CNC(=O)C(F)(F)F
Name: 2-chloro-4-fluoro-5-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoyl isocyanate
SMILES: C1=C(C(=CC(=C1C(=O)N=C=O)Cl)F)CNC(=O)C(F)(F)F

Molecular Processing

Molecular formula
C11H5ClF4N2O3
Molecular weight
324.62
Exact mass
323.9925
XLogP
2.13
TPSA
75.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
61.76

Supplementary Information

InChIKey: RGCROPPZMSFYTN-UHFFFAOYSA-N
Synonyms
5-((2,2,2-tri fluoroacetamido)methyl)-2-chloro-4-fluorobenzoyl isocyanateSCHEMBL155401325-((2,2,2-trifluoroacetamido)methyl)-2-chloro-4-fluorobenzoyl isocyanate
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Involved in 14 reactions→

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