6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol

C9H5F2IOS — CID 131195851

IUPAC6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol
SMILESOc1c(C(F)F)c(I)cc2ccsc12
InChIInChI=1S/C9H5F2IOS/c10-9(11)6-5(12)3-4-1-2-14-8(4)7(6)13/h1-3,9,13H
InChIKeyLVGRWWHJAXMTGW-UHFFFAOYSA-N
MW326.11 g/mol
LogP4.15
Rot. Bonds1

About 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol

6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol (PubChem CID 131195851) has the molecular formula C9H5F2IOS and a molecular weight of 326.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol
PubChem CID131195851
Molecular FormulaC9H5F2IOS
Molecular Weight326.11 g/mol
Exact Mass325.91
IUPAC Name6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol
SMILESOc1c(C(F)F)c(I)cc2ccsc12
InChIInChI=1S/C9H5F2IOS/c10-9(11)6-5(12)3-4-1-2-14-8(4)7(6)13/h1-3,9,13H
InChIKeyLVGRWWHJAXMTGW-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'}

Analyze 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol?
The IUPAC name of 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol (CID 131195851) is 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol is Oc1c(C(F)F)c(I)cc2ccsc12.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol?
The InChIKey is LVGRWWHJAXMTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2IOS/c10-9(11)6-5(12)3-4-1-2-14-8(4)7(6)13/h1-3,9,13H.
What are the key properties of 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol?
6-(difluoromethyl)-5-iodo-1-benzothiophen-7-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 6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol is sourced from PubChem (CID 131195851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).