5,6-difluoro-2-methyl-1-benzothiophene

C9H6F2S — CID 131029418

IUPAC5,6-difluoro-2-methyl-1-benzothiophene
SMILESCc1cc2cc(F)c(F)cc2s1
InChIInChI=1S/C9H6F2S/c1-5-2-6-3-7(10)8(11)4-9(6)12-5/h2-4H,1H3
InChIKeyMKLFVJAIMGWJCF-UHFFFAOYSA-N
MW184.21 g/mol
LogP3.49
Rot. Bonds

About 5,6-difluoro-2-methyl-1-benzothiophene

5,6-difluoro-2-methyl-1-benzothiophene (PubChem CID 131029418) has the molecular formula C9H6F2S and a molecular weight of 184.21 g/mol. Its IUPAC name is 5,6-difluoro-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name5,6-difluoro-2-methyl-1-benzothiophene
PubChem CID131029418
Molecular FormulaC9H6F2S
Molecular Weight184.21 g/mol
Exact Mass184.02
IUPAC Name5,6-difluoro-2-methyl-1-benzothiophene
SMILESCc1cc2cc(F)c(F)cc2s1
InChIInChI=1S/C9H6F2S/c1-5-2-6-3-7(10)8(11)4-9(6)12-5/h2-4H,1H3
InChIKeyMKLFVJAIMGWJCF-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-methyl-1-benzothiophene?
The IUPAC name of 5,6-difluoro-2-methyl-1-benzothiophene (CID 131029418) is 5,6-difluoro-2-methyl-1-benzothiophene.
What is the SMILES notation for 5,6-difluoro-2-methyl-1-benzothiophene?
The canonical SMILES for 5,6-difluoro-2-methyl-1-benzothiophene is Cc1cc2cc(F)c(F)cc2s1.
What is the InChIKey of 5,6-difluoro-2-methyl-1-benzothiophene?
The InChIKey is MKLFVJAIMGWJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2S/c1-5-2-6-3-7(10)8(11)4-9(6)12-5/h2-4H,1H3.
What are the key properties of 5,6-difluoro-2-methyl-1-benzothiophene?
5,6-difluoro-2-methyl-1-benzothiophene has a molecular weight of 184.21 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-methyl-1-benzothiophene is sourced from PubChem (CID 131029418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).