4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde

C10H6F2O2 — CID 166532515

IUPAC4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde
SMILESCc1c(C=O)oc2c(F)ccc(F)c12
InChIInChI=1S/C10H6F2O2/c1-5-8(4-13)14-10-7(12)3-2-6(11)9(5)10/h2-4H,1H3
InChIKeyXJUNRFWJPSNHMB-UHFFFAOYSA-N
MW196.15 g/mol
LogP2.83
Rot. Bonds1

About 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde

4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde (PubChem CID 166532515) has the molecular formula C10H6F2O2 and a molecular weight of 196.15 g/mol. Its IUPAC name is 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde
PubChem CID166532515
Molecular FormulaC10H6F2O2
Molecular Weight196.15 g/mol
Exact Mass196.03
IUPAC Name4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde
SMILESCc1c(C=O)oc2c(F)ccc(F)c12
InChIInChI=1S/C10H6F2O2/c1-5-8(4-13)14-10-7(12)3-2-6(11)9(5)10/h2-4H,1H3
InChIKeyXJUNRFWJPSNHMB-UHFFFAOYSA-N
XLogP2.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,7-difluoro-3-methyl-1-benzofuran-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 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde?
The IUPAC name of 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde (CID 166532515) is 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde is Cc1c(C=O)oc2c(F)ccc(F)c12.
What is the InChIKey of 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde?
The InChIKey is XJUNRFWJPSNHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O2/c1-5-8(4-13)14-10-7(12)3-2-6(11)9(5)10/h2-4H,1H3.
What are the key properties of 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde?
4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde has a molecular weight of 196.15 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-3-methyl-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 166532515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).