7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde

C9H4ClFOS — CID 130803900

IUPAC7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(F)sc2c(Cl)cccc12
InChIInChI=1S/C9H4ClFOS/c10-7-3-1-2-5-6(4-12)9(11)13-8(5)7/h1-4H
InChIKeyGMWMWHHPSWJUAU-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.51
Rot. Bonds1

About 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde

7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde (PubChem CID 130803900) has the molecular formula C9H4ClFOS and a molecular weight of 214.65 g/mol. Its IUPAC name is 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde
PubChem CID130803900
Molecular FormulaC9H4ClFOS
Molecular Weight214.65 g/mol
Exact Mass213.97
IUPAC Name7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(F)sc2c(Cl)cccc12
InChIInChI=1S/C9H4ClFOS/c10-7-3-1-2-5-6(4-12)9(11)13-8(5)7/h1-4H
InChIKeyGMWMWHHPSWJUAU-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-7-sulfanyl-1-benzothiophene-3-carbaldehyde
CID 130854629
2,6-dichlorobenzaldehyde;ethane
CID 90823593
7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde
CID 135380136
4,10-dichloroanthracene-9-carbaldehyde
CID 13375395
4-bromo-6-chlorodibenzothiophene
CID 54757064
3-chloro-2,7-difluoro-1-benzothiophene
CID 130926138
2,3-dibromo-7-chloro-1-benzothiophene
CID 118221624
2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile
CID 131219662
3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde
CID 131014402
2,7-dichloro-1-benzothiophene-3-carboxylic acid
CID 130785966
7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol
CID 131146373
2-chloro-6-iodobenzaldehyde
CID 58951891

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde (CID 130803900) is 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde is O=Cc1c(F)sc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde?
The InChIKey is GMWMWHHPSWJUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFOS/c10-7-3-1-2-5-6(4-12)9(11)13-8(5)7/h1-4H.
What are the key properties of 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde?
7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde has a molecular weight of 214.65 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 130803900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).