3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde

C9H4FIOS — CID 131060053

IUPAC3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde
SMILESO=Cc1ccc2c(F)c(I)sc2c1
InChIInChI=1S/C9H4FIOS/c10-8-6-2-1-5(4-12)3-7(6)13-9(8)11/h1-4H
InChIKeyGZNPRPJEJDLLAQ-UHFFFAOYSA-N
MW306.10 g/mol
LogP3.46
Rot. Bonds1

About 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde

3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde (PubChem CID 131060053) has the molecular formula C9H4FIOS and a molecular weight of 306.10 g/mol. Its IUPAC name is 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde
PubChem CID131060053
Molecular FormulaC9H4FIOS
Molecular Weight306.10 g/mol
Exact Mass305.90
IUPAC Name3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde
SMILESO=Cc1ccc2c(F)c(I)sc2c1
InChIInChI=1S/C9H4FIOS/c10-8-6-2-1-5(4-12)3-7(6)13-9(8)11/h1-4H
InChIKeyGZNPRPJEJDLLAQ-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-hydroxy-1-benzothiophene-6-carbaldehyde
CID 130805636
16-hydroxy-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6-carbaldehyde
CID 130242570
2,4-diiodo-1-benzothiophene-6-carbaldehyde
CID 130969246
3-[3,3,4,4,5,5-hexafluoro-2-(6-formyl-2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene-6-carbaldehyde
CID 101211724
3-ethyl-2-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131000569
2-(bromomethyl)-3-chloro-1-benzothiophene-6-carbaldehyde
CID 130961260
2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
CID 130970968
6-formyl-2-methyl-1-benzothiophene-3-carbonitrile
CID 130883929
3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde
CID 71378043
2,3-dibutyl-1-benzothiophene-6-carbaldehyde
CID 134965901
5,7-difluoronaphthalene-2-carbaldehyde
CID 10845407
6-(bromomethyl)-3-fluoro-1-benzothiophene-2-carbaldehyde
CID 130898250

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde?
The IUPAC name of 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde (CID 131060053) is 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde.
What is the SMILES notation for 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde?
The canonical SMILES for 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde is O=Cc1ccc2c(F)c(I)sc2c1.
What is the InChIKey of 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde?
The InChIKey is GZNPRPJEJDLLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FIOS/c10-8-6-2-1-5(4-12)3-7(6)13-9(8)11/h1-4H.
What are the key properties of 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde?
3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde has a molecular weight of 306.10 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde is sourced from PubChem (CID 131060053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).