CC(C)CC1=CSC2=C1C=C(C=C2)F
Name: 5-fluoro-3-(2-methylpropyl)-1-benzothiophene
SMILES: CC(C)CC1=CSC2=C1C=C(C=C2)F

Molecular Processing

Molecular formula
C12H13FS
Molecular weight
208.3
Exact mass
208.0722
XLogP
4.24
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
60.33

Supplementary Information

InChIKey: IWLQZTDHHGQTBN-UHFFFAOYSA-N
Synonyme
SCHEMBL2114201IWLQZTDHHGQTBN-UHFFFAOYSA-N5-Fluoro-3-isobutyl-benzo[b]thiophene
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