2-(dichloromethyl)-2,5-dihydrofuran

C5H6Cl2O — CID 12518972

IUPAC2-(dichloromethyl)-2,5-dihydrofuran
SMILESClC(Cl)C1C=CCO1
InChIInChI=1S/C5H6Cl2O/c6-5(7)4-2-1-3-8-4/h1-2,4-5H,3H2
InChIKeyZXVKTXHOKOPYPZ-UHFFFAOYSA-N
MW153.01 g/mol
LogP1.75
Rot. Bonds1

About 2-(dichloromethyl)-2,5-dihydrofuran

2-(dichloromethyl)-2,5-dihydrofuran (PubChem CID 12518972) has the molecular formula C5H6Cl2O and a molecular weight of 153.01 g/mol. Its IUPAC name is 2-(dichloromethyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name2-(dichloromethyl)-2,5-dihydrofuran
PubChem CID12518972
Molecular FormulaC5H6Cl2O
Molecular Weight153.01 g/mol
Exact Mass151.98
IUPAC Name2-(dichloromethyl)-2,5-dihydrofuran
SMILESClC(Cl)C1C=CCO1
InChIInChI=1S/C5H6Cl2O/c6-5(7)4-2-1-3-8-4/h1-2,4-5H,3H2
InChIKeyZXVKTXHOKOPYPZ-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-2,5-dihydrofuran?
The IUPAC name of 2-(dichloromethyl)-2,5-dihydrofuran (CID 12518972) is 2-(dichloromethyl)-2,5-dihydrofuran.
What is the SMILES notation for 2-(dichloromethyl)-2,5-dihydrofuran?
The canonical SMILES for 2-(dichloromethyl)-2,5-dihydrofuran is ClC(Cl)C1C=CCO1.
What is the InChIKey of 2-(dichloromethyl)-2,5-dihydrofuran?
The InChIKey is ZXVKTXHOKOPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2O/c6-5(7)4-2-1-3-8-4/h1-2,4-5H,3H2.
What are the key properties of 2-(dichloromethyl)-2,5-dihydrofuran?
2-(dichloromethyl)-2,5-dihydrofuran has a molecular weight of 153.01 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-2,5-dihydrofuran is sourced from PubChem (CID 12518972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).