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

C8H4F2OS — CID 131053776

IUPAC3,4-difluoro-1-benzothiophen-2-ol
SMILESOc1sc2cccc(F)c2c1F
InChIInChI=1S/C8H4F2OS/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3,11H
InChIKeyUJXYRKMPKVHSIC-UHFFFAOYSA-N
MW186.18 g/mol
LogP2.89
Rot. Bonds

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

3,4-difluoro-1-benzothiophen-2-ol (PubChem CID 131053776) has the molecular formula C8H4F2OS and a molecular weight of 186.18 g/mol. Its IUPAC name is 3,4-difluoro-1-benzothiophen-2-ol.

Molecular Properties

Compound Name3,4-difluoro-1-benzothiophen-2-ol
PubChem CID131053776
Molecular FormulaC8H4F2OS
Molecular Weight186.18 g/mol
Exact Mass186.00
IUPAC Name3,4-difluoro-1-benzothiophen-2-ol
SMILESOc1sc2cccc(F)c2c1F
InChIInChI=1S/C8H4F2OS/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3,11H
InChIKeyUJXYRKMPKVHSIC-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-benzothiophene-3-thiol
CID 130971711
4-iodo-3-methyl-1-benzothiophen-2-ol
CID 130987143
(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol
CID 130855351
4-fluoro-3-iodo-1-benzothiophen-2-amine
CID 130788725
4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 7129158
3-(chloromethyl)-2-fluoro-1-benzothiophen-4-ol
CID 130970873
4-(difluoromethyl)-2-fluoro-1-benzothiophen-3-ol
CID 131146472
2-(4-fluoro-3-iodo-1-benzothiophen-2-yl)acetonitrile
CID 131001500
(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
1,2,3-trifluorobenzene
CID 15147
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
3,4-dichloro-2-fluoro-1-benzothiophene
CID 130870260

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1-benzothiophen-2-ol?
The IUPAC name of 3,4-difluoro-1-benzothiophen-2-ol (CID 131053776) is 3,4-difluoro-1-benzothiophen-2-ol.
What is the SMILES notation for 3,4-difluoro-1-benzothiophen-2-ol?
The canonical SMILES for 3,4-difluoro-1-benzothiophen-2-ol is Oc1sc2cccc(F)c2c1F.
What is the InChIKey of 3,4-difluoro-1-benzothiophen-2-ol?
The InChIKey is UJXYRKMPKVHSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2OS/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3,11H.
What are the key properties of 3,4-difluoro-1-benzothiophen-2-ol?
3,4-difluoro-1-benzothiophen-2-ol has a molecular weight of 186.18 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-benzothiophen-2-ol is sourced from PubChem (CID 131053776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).