4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde

C9H4ClFOS — CID 130969614

IUPAC4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2c(Cl)cc(F)cc2s1
InChIInChI=1S/C9H4ClFOS/c10-8-1-5(11)2-9-7(8)3-6(4-12)13-9/h1-4H
InChIKeyQUUHUXIVGJTDND-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.51
Rot. Bonds1

About 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde

4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde (PubChem CID 130969614) has the molecular formula C9H4ClFOS and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde
PubChem CID130969614
Molecular FormulaC9H4ClFOS
Molecular Weight214.65 g/mol
Exact Mass213.97
IUPAC Name4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2c(Cl)cc(F)cc2s1
InChIInChI=1S/C9H4ClFOS/c10-8-1-5(11)2-9-7(8)3-6(4-12)13-9/h1-4H
InChIKeyQUUHUXIVGJTDND-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

7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde
CID 88879321
4-chloro-5-(chloromethyl)-1-benzothiophene-2-carbaldehyde
CID 130803865
4-chloro-5-ethyl-1-benzothiophene-2-carbaldehyde
CID 130926385
7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde
CID 135380136
4-hydroxy-6-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131122803
2-chloro-4,6-difluorobenzaldehyde
CID 88504235
3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde
CID 171002242
6-(hydroxymethyl)-4-methyl-1-benzothiophene-2-carbaldehyde
CID 130900261
cyclopropane;4-fluoro-5,6-dimethoxy-1-benzothiophene-2-carbaldehyde;formic acid
CID 142319762
benzo[e][1]benzothiole-2-carbaldehyde
CID 13128317
4-ethyl-5-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 131014670
4-(chloromethyl)-5-methyl-1-benzothiophene-2-carbaldehyde
CID 131015688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde (CID 130969614) is 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde is O=Cc1cc2c(Cl)cc(F)cc2s1.
What is the InChIKey of 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde?
The InChIKey is QUUHUXIVGJTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFOS/c10-8-1-5(11)2-9-7(8)3-6(4-12)13-9/h1-4H.
What are the key properties of 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde?
4-chloro-6-fluoro-1-benzothiophene-2-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 4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 130969614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).