3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran

C10H8ClFO — CID 118564137

IUPAC3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran
SMILESCc1cc2c(CCl)coc2cc1F
InChIInChI=1S/C10H8ClFO/c1-6-2-8-7(4-11)5-13-10(8)3-9(6)12/h2-3,5H,4H2,1H3
InChIKeyUBDKKUWEMJMCHM-UHFFFAOYSA-N
MW198.62 g/mol
LogP3.62
Rot. Bonds1

About 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran

3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran (PubChem CID 118564137) has the molecular formula C10H8ClFO and a molecular weight of 198.62 g/mol. Its IUPAC name is 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran.

Molecular Properties

Compound Name3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran
PubChem CID118564137
Molecular FormulaC10H8ClFO
Molecular Weight198.62 g/mol
Exact Mass198.02
IUPAC Name3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran
SMILESCc1cc2c(CCl)coc2cc1F
InChIInChI=1S/C10H8ClFO/c1-6-2-8-7(4-11)5-13-10(8)3-9(6)12/h2-3,5H,4H2,1H3
InChIKeyUBDKKUWEMJMCHM-UHFFFAOYSA-N
XLogP3.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran 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 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran?
The IUPAC name of 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran (CID 118564137) is 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran.
What is the SMILES notation for 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran?
The canonical SMILES for 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran is Cc1cc2c(CCl)coc2cc1F.
What is the InChIKey of 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran?
The InChIKey is UBDKKUWEMJMCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO/c1-6-2-8-7(4-11)5-13-10(8)3-9(6)12/h2-3,5H,4H2,1H3.
What are the key properties of 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran?
3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran has a molecular weight of 198.62 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran is sourced from PubChem (CID 118564137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).