7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde

C10H6ClFOS — CID 135380136

IUPAC7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde
SMILESCc1sc2c(Cl)cc(F)cc2c1C=O
InChIInChI=1S/C10H6ClFOS/c1-5-8(4-13)7-2-6(12)3-9(11)10(7)14-5/h2-4H,1H3
InChIKeyGYXREWKGXXZWGP-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.81
Rot. Bonds1

About 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde

7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde (PubChem CID 135380136) has the molecular formula C10H6ClFOS and a molecular weight of 228.68 g/mol. Its IUPAC name is 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde
PubChem CID135380136
Molecular FormulaC10H6ClFOS
Molecular Weight228.68 g/mol
Exact Mass227.98
IUPAC Name7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde
SMILESCc1sc2c(Cl)cc(F)cc2c1C=O
InChIInChI=1S/C10H6ClFOS/c1-5-8(4-13)7-2-6(12)3-9(11)10(7)14-5/h2-4H,1H3
InChIKeyGYXREWKGXXZWGP-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.81
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-5-fluoro-3-iodo-2-methyl-1-benzothiophene
CID 142472643
2-chloro-4,6-difluorobenzaldehyde
CID 88504235
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897
4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde
CID 130969614
7-chloro-3-ethyl-5-fluoro-1-benzothiophene
CID 130805932
2-methyl-1-benzothiophene-3-carbaldehyde
CID 3775467
7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde
CID 130803900
3-chloro-5,7-difluoro-2-methyl-1-benzothiophene;propane
CID 143670316
7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
CID 130063294
2-chloro-6-fluoro-4-methylbenzaldehyde
CID 90021510
3-chloro-5-fluoro-2,6-dimethylbenzaldehyde
CID 84732821
7-chloro-2-fluoro-4-methyl-1-benzothiophene
CID 131169637

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde (CID 135380136) is 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde is Cc1sc2c(Cl)cc(F)cc2c1C=O.
What is the InChIKey of 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde?
The InChIKey is GYXREWKGXXZWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFOS/c1-5-8(4-13)7-2-6(12)3-9(11)10(7)14-5/h2-4H,1H3.
What are the key properties of 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde?
7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde has a molecular weight of 228.68 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 135380136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).