6-fluoro-3,5-dimethyl-1-benzothiophene

C10H9FS — CID 89233564

IUPAC6-fluoro-3,5-dimethyl-1-benzothiophene
SMILESCc1cc2c(C)csc2cc1F
InChIInChI=1S/C10H9FS/c1-6-3-8-7(2)5-12-10(8)4-9(6)11/h3-5H,1-2H3
InChIKeyFTGQHHUMNRMYRK-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.66
Rot. Bonds

About 6-fluoro-3,5-dimethyl-1-benzothiophene

6-fluoro-3,5-dimethyl-1-benzothiophene (PubChem CID 89233564) has the molecular formula C10H9FS and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-fluoro-3,5-dimethyl-1-benzothiophene.

Molecular Properties

Compound Name6-fluoro-3,5-dimethyl-1-benzothiophene
PubChem CID89233564
Molecular FormulaC10H9FS
Molecular Weight180.25 g/mol
Exact Mass180.04
IUPAC Name6-fluoro-3,5-dimethyl-1-benzothiophene
SMILESCc1cc2c(C)csc2cc1F
InChIInChI=1S/C10H9FS/c1-6-3-8-7(2)5-12-10(8)4-9(6)11/h3-5H,1-2H3
InChIKeyFTGQHHUMNRMYRK-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,5-dimethyl-1-benzothiophene?
The IUPAC name of 6-fluoro-3,5-dimethyl-1-benzothiophene (CID 89233564) is 6-fluoro-3,5-dimethyl-1-benzothiophene.
What is the SMILES notation for 6-fluoro-3,5-dimethyl-1-benzothiophene?
The canonical SMILES for 6-fluoro-3,5-dimethyl-1-benzothiophene is Cc1cc2c(C)csc2cc1F.
What is the InChIKey of 6-fluoro-3,5-dimethyl-1-benzothiophene?
The InChIKey is FTGQHHUMNRMYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FS/c1-6-3-8-7(2)5-12-10(8)4-9(6)11/h3-5H,1-2H3.
What are the key properties of 6-fluoro-3,5-dimethyl-1-benzothiophene?
6-fluoro-3,5-dimethyl-1-benzothiophene has a molecular weight of 180.25 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,5-dimethyl-1-benzothiophene is sourced from PubChem (CID 89233564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).