(4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol

C9H6FIOS — CID 130870905

IUPAC(4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol
SMILESOCc1ccc2sc(I)cc2c1F
InChIInChI=1S/C9H6FIOS/c10-9-5(4-12)1-2-7-6(9)3-8(11)13-7/h1-3,12H,4H2
InChIKeyXEXOVMRRJOFVRV-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.14
Rot. Bonds1

About (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol

(4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol (PubChem CID 130870905) has the molecular formula C9H6FIOS and a molecular weight of 308.12 g/mol. Its IUPAC name is (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol
PubChem CID130870905
Molecular FormulaC9H6FIOS
Molecular Weight308.12 g/mol
Exact Mass307.92
IUPAC Name(4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol
SMILESOCc1ccc2sc(I)cc2c1F
InChIInChI=1S/C9H6FIOS/c10-9-5(4-12)1-2-7-6(9)3-8(11)13-7/h1-3,12H,4H2
InChIKeyXEXOVMRRJOFVRV-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol?
The IUPAC name of (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol (CID 130870905) is (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol is OCc1ccc2sc(I)cc2c1F.
What is the InChIKey of (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol?
The InChIKey is XEXOVMRRJOFVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIOS/c10-9-5(4-12)1-2-7-6(9)3-8(11)13-7/h1-3,12H,4H2.
What are the key properties of (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol?
(4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol has a molecular weight of 308.12 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130870905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).