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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Related Compounds

6-chloro-5-fluoro-2-methyl-1-benzothiophene
CID 20759995
6-fluoro-5-methoxy-2-methyl-1-benzothiophene
CID 90429351
5-fluoro-6-methoxy-2-methyl-1-benzothiophene
CID 131091519
2,7,12,17-tetramethyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
CID 59188490
2-bromo-5,6-difluoro-1-benzothiophene
CID 130866221
5-chloro-2-methyl-1-benzothiophene
CID 2747689
6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol
CID 130826737
6-bromo-5-chloro-2-methyl-1-benzothiophene
CID 130970547
8,23-dimethyl-9,15,24,30-tetrathiaoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene
CID 122448647
5-fluoro-2-methylthieno[3,2-b]thiophene
CID 129149078
methyl 5,6-difluoro-1-benzothiophene-2-carboxylate
CID 165347141
5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323

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).