CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)C(F)(F)F)C
Name: ethyl 3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate
SMILES: CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)C(F)(F)F)C

Molecular Processing

Molecular formula
C15H13F3O2S
Molecular weight
314.33
Exact mass
314.0588
XLogP
4.92
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
75.45

Supplementary Information

InChIKey: LXKZBFHSOGBDSZ-UHFFFAOYSA-N
Synonyme
ethyl 3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylateSCHEMBL5860688
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