CC(C)C(C1=C(C=C(C=C1)C(F)(F)F)Cl)C(=O)N
Name: 2-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylbutanamide
SMILES: CC(C)C(C1=C(C=C(C=C1)C(F)(F)F)Cl)C(=O)N

Molecular Processing

Molecular formula
C12H13ClF3NO
Molecular weight
279.69
Exact mass
279.0638
XLogP
3.58
TPSA
43.09
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
63.23

Supplementary Information

InChIKey: ZSBRJHKKBPOOAM-UHFFFAOYSA-N
Synonyme
2-(2-chloro-4-trifluoromethylphenyl)-3-methylbutyramideSCHEMBL11316133
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