3-(chloromethyl)furan

C5H5ClO — CID 11126228

IUPAC3-(chloromethyl)furan
SMILESClCc1ccoc1
InChIInChI=1S/C5H5ClO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChIKeyWECUIJXZKLGURU-UHFFFAOYSA-N
MW116.55 g/mol
LogP2.02
Rot. Bonds1

About 3-(chloromethyl)furan

3-(chloromethyl)furan (PubChem CID 11126228) has the molecular formula C5H5ClO and a molecular weight of 116.55 g/mol. Its IUPAC name is 3-(chloromethyl)furan.

Molecular Properties

Compound Name3-(chloromethyl)furan
PubChem CID11126228
Molecular FormulaC5H5ClO
Molecular Weight116.55 g/mol
Exact Mass116.00
IUPAC Name3-(chloromethyl)furan
SMILESClCc1ccoc1
InChIInChI=1S/C5H5ClO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChIKeyWECUIJXZKLGURU-UHFFFAOYSA-N
XLogP2.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.55
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)furan 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)furan?
The IUPAC name of 3-(chloromethyl)furan (CID 11126228) is 3-(chloromethyl)furan.
What is the SMILES notation for 3-(chloromethyl)furan?
The canonical SMILES for 3-(chloromethyl)furan is ClCc1ccoc1.
What is the InChIKey of 3-(chloromethyl)furan?
The InChIKey is WECUIJXZKLGURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2.
What are the key properties of 3-(chloromethyl)furan?
3-(chloromethyl)furan has a molecular weight of 116.55 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)furan is sourced from PubChem (CID 11126228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).