2-(dichloromethyl)furan

C5H4Cl2O — CID 13308664

IUPAC2-(dichloromethyl)furan
SMILESClC(Cl)c1ccco1
InChIInChI=1S/C5H4Cl2O/c6-5(7)4-2-1-3-8-4/h1-3,5H
InChIKeyIDQMVBRXEUQKQI-UHFFFAOYSA-N
MW150.99 g/mol
LogP2.76
Rot. Bonds1

About 2-(dichloromethyl)furan

2-(dichloromethyl)furan (PubChem CID 13308664) has the molecular formula C5H4Cl2O and a molecular weight of 150.99 g/mol. Its IUPAC name is 2-(dichloromethyl)furan.

Molecular Properties

Compound Name2-(dichloromethyl)furan
PubChem CID13308664
Molecular FormulaC5H4Cl2O
Molecular Weight150.99 g/mol
Exact Mass149.96
IUPAC Name2-(dichloromethyl)furan
SMILESClC(Cl)c1ccco1
InChIInChI=1S/C5H4Cl2O/c6-5(7)4-2-1-3-8-4/h1-3,5H
InChIKeyIDQMVBRXEUQKQI-UHFFFAOYSA-N
XLogP2.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.99
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)furan?
The IUPAC name of 2-(dichloromethyl)furan (CID 13308664) is 2-(dichloromethyl)furan.
What is the SMILES notation for 2-(dichloromethyl)furan?
The canonical SMILES for 2-(dichloromethyl)furan is ClC(Cl)c1ccco1.
What is the InChIKey of 2-(dichloromethyl)furan?
The InChIKey is IDQMVBRXEUQKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2O/c6-5(7)4-2-1-3-8-4/h1-3,5H.
What are the key properties of 2-(dichloromethyl)furan?
2-(dichloromethyl)furan has a molecular weight of 150.99 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)furan is sourced from PubChem (CID 13308664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).