2,3-difluoro-5-methyl-1-benzothiophen-4-ol

C9H6F2OS — CID 170441417

IUPAC2,3-difluoro-5-methyl-1-benzothiophen-4-ol
SMILESCc1ccc2sc(F)c(F)c2c1O
InChIInChI=1S/C9H6F2OS/c1-4-2-3-5-6(8(4)12)7(10)9(11)13-5/h2-3,12H,1H3
InChIKeyLMIXTBOIUFWHKY-UHFFFAOYSA-N
MW200.21 g/mol
LogP3.19
Rot. Bonds

About 2,3-difluoro-5-methyl-1-benzothiophen-4-ol

2,3-difluoro-5-methyl-1-benzothiophen-4-ol (PubChem CID 170441417) has the molecular formula C9H6F2OS and a molecular weight of 200.21 g/mol. Its IUPAC name is 2,3-difluoro-5-methyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2,3-difluoro-5-methyl-1-benzothiophen-4-ol
PubChem CID170441417
Molecular FormulaC9H6F2OS
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Name2,3-difluoro-5-methyl-1-benzothiophen-4-ol
SMILESCc1ccc2sc(F)c(F)c2c1O
InChIInChI=1S/C9H6F2OS/c1-4-2-3-5-6(8(4)12)7(10)9(11)13-5/h2-3,12H,1H3
InChIKeyLMIXTBOIUFWHKY-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-benzothiophen-4-ol
CID 91882001
2,6-difluoro-3-methylphenol;ethane
CID 143572521
3,4-difluoro-1-benzothiophen-2-ol
CID 131053776
2,3-difluoro-6-methyl-1-benzothiophene
CID 129075425
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
2-amino-3-fluoro-6-methylphenol
CID 131278270
4-(difluoromethyl)-2-fluoro-1-benzothiophen-3-ol
CID 131146472
2-fluoro-6-methyl-3-phenylphenol
CID 66800848
4-iodo-3-methyl-1-benzothiophen-2-ol
CID 130987143
5-bromo-2-fluoro-1-benzothiophen-3-ol
CID 130854964
2-fluoro-4-methyl-5-phenylthiophen-3-ol
CID 70965990
5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-methyl-1-benzothiophen-4-ol?
The IUPAC name of 2,3-difluoro-5-methyl-1-benzothiophen-4-ol (CID 170441417) is 2,3-difluoro-5-methyl-1-benzothiophen-4-ol.
What is the SMILES notation for 2,3-difluoro-5-methyl-1-benzothiophen-4-ol?
The canonical SMILES for 2,3-difluoro-5-methyl-1-benzothiophen-4-ol is Cc1ccc2sc(F)c(F)c2c1O.
What is the InChIKey of 2,3-difluoro-5-methyl-1-benzothiophen-4-ol?
The InChIKey is LMIXTBOIUFWHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2OS/c1-4-2-3-5-6(8(4)12)7(10)9(11)13-5/h2-3,12H,1H3.
What are the key properties of 2,3-difluoro-5-methyl-1-benzothiophen-4-ol?
2,3-difluoro-5-methyl-1-benzothiophen-4-ol has a molecular weight of 200.21 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-methyl-1-benzothiophen-4-ol is sourced from PubChem (CID 170441417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).