5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene

C11H8F4S — CID 71242156

IUPAC5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene
SMILESCc1c(F)c(C(F)(F)F)c(C)c2cscc12
InChIInChI=1S/C11H8F4S/c1-5-7-3-16-4-8(7)6(2)10(12)9(5)11(13,14)15/h3-4H,1-2H3
InChIKeyBUSUDMBLDOBJCB-UHFFFAOYSA-N
MW248.24 g/mol
LogP4.68
Rot. Bonds

About 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene

5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene (PubChem CID 71242156) has the molecular formula C11H8F4S and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene.

Molecular Properties

Compound Name5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene
PubChem CID71242156
Molecular FormulaC11H8F4S
Molecular Weight248.24 g/mol
Exact Mass248.03
IUPAC Name5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene
SMILESCc1c(F)c(C(F)(F)F)c(C)c2cscc12
InChIInChI=1S/C11H8F4S/c1-5-7-3-16-4-8(7)6(2)10(12)9(5)11(13,14)15/h3-4H,1-2H3
InChIKeyBUSUDMBLDOBJCB-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene?
The IUPAC name of 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene (CID 71242156) is 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene.
What is the SMILES notation for 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene?
The canonical SMILES for 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene is Cc1c(F)c(C(F)(F)F)c(C)c2cscc12.
What is the InChIKey of 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene?
The InChIKey is BUSUDMBLDOBJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4S/c1-5-7-3-16-4-8(7)6(2)10(12)9(5)11(13,14)15/h3-4H,1-2H3.
What are the key properties of 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene?
5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene has a molecular weight of 248.24 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,7-dimethyl-6-(trifluoromethyl)-2-benzothiophene is sourced from PubChem (CID 71242156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).