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

C10H7FOS — CID 82374290

IUPAC7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde
SMILESCc1c(C=O)sc2c(F)cccc12
InChIInChI=1S/C10H7FOS/c1-6-7-3-2-4-8(11)10(7)13-9(6)5-12/h2-5H,1H3
InChIKeyYWOITZMQMAULRS-UHFFFAOYSA-N
MW194.23 g/mol
LogP3.16
Rot. Bonds1

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

7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde (PubChem CID 82374290) has the molecular formula C10H7FOS and a molecular weight of 194.23 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde
PubChem CID82374290
Molecular FormulaC10H7FOS
Molecular Weight194.23 g/mol
Exact Mass194.02
IUPAC Name7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde
SMILESCc1c(C=O)sc2c(F)cccc12
InChIInChI=1S/C10H7FOS/c1-6-7-3-2-4-8(11)10(7)13-9(6)5-12/h2-5H,1H3
InChIKeyYWOITZMQMAULRS-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde (CID 82374290) is 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde is Cc1c(C=O)sc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde?
The InChIKey is YWOITZMQMAULRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FOS/c1-6-7-3-2-4-8(11)10(7)13-9(6)5-12/h2-5H,1H3.
What are the key properties of 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde?
7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 82374290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).