2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol

C9H5F2IOS — CID 131096899

IUPAC2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol
SMILESOc1ccc2c(I)c(C(F)F)sc2c1
InChIInChI=1S/C9H5F2IOS/c10-9(11)8-7(12)5-2-1-4(13)3-6(5)14-8/h1-3,9,13H
InChIKeyDCURHFSBVABLLZ-UHFFFAOYSA-N
MW326.11 g/mol
LogP4.15
Rot. Bonds1

About 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol

2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol (PubChem CID 131096899) has the molecular formula C9H5F2IOS and a molecular weight of 326.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol
PubChem CID131096899
Molecular FormulaC9H5F2IOS
Molecular Weight326.11 g/mol
Exact Mass325.91
IUPAC Name2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol
SMILESOc1ccc2c(I)c(C(F)F)sc2c1
InChIInChI=1S/C9H5F2IOS/c10-9(11)8-7(12)5-2-1-4(13)3-6(5)14-8/h1-3,9,13H
InChIKeyDCURHFSBVABLLZ-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol
CID 130985696
3-bromo-2-(difluoromethyl)-1-benzothiophen-6-ol
CID 131096713
6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol
CID 130971957
3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene
CID 130805604
2-(difluoromethyl)-5-iodo-1-benzothiophen-3-amine
CID 130884051
2-(hydroxymethyl)-1-benzothiophene-3,6-diol
CID 130803251
3-amino-2-sulfanyl-1-benzothiophen-6-ol
CID 131076485
3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
CID 58448893
2,3-diethyl-1-benzothiophen-6-ol
CID 131191073
4-methyldibenzothiophene-3,7-diol
CID 170104064
3-amino-2-ethyl-1-benzothiophen-6-ol
CID 131055002
6-hydroxy-3-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 131196551

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol?
The IUPAC name of 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol (CID 131096899) is 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol is Oc1ccc2c(I)c(C(F)F)sc2c1.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol?
The InChIKey is DCURHFSBVABLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2IOS/c10-9(11)8-7(12)5-2-1-4(13)3-6(5)14-8/h1-3,9,13H.
What are the key properties of 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol?
2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol has a molecular weight of 326.11 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol is sourced from PubChem (CID 131096899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).