2-chlorooxolane;hydrochloride

C4H8Cl2O — CID 146484835

IUPAC2-chlorooxolane;hydrochloride
SMILESCl.ClC1CCCO1
InChIInChI=1S/C4H7ClO.ClH/c5-4-2-1-3-6-4;/h4H,1-3H2;1H
InChIKeyCFLSNPRIQXQWMU-UHFFFAOYSA-N
MW143.01 g/mol
LogP1.78
Rot. Bonds

About 2-chlorooxolane;hydrochloride

2-chlorooxolane;hydrochloride (PubChem CID 146484835) has the molecular formula C4H8Cl2O and a molecular weight of 143.01 g/mol. Its IUPAC name is 2-chlorooxolane;hydrochloride.

Molecular Properties

Compound Name2-chlorooxolane;hydrochloride
PubChem CID146484835
Molecular FormulaC4H8Cl2O
Molecular Weight143.01 g/mol
Exact Mass142.00
IUPAC Name2-chlorooxolane;hydrochloride
SMILESCl.ClC1CCCO1
InChIInChI=1S/C4H7ClO.ClH/c5-4-2-1-3-6-4;/h4H,1-3H2;1H
InChIKeyCFLSNPRIQXQWMU-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.01
LogP ≤ 51.78
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-chlorooxolane;hydrochloride?
The IUPAC name of 2-chlorooxolane;hydrochloride (CID 146484835) is 2-chlorooxolane;hydrochloride.
What is the SMILES notation for 2-chlorooxolane;hydrochloride?
The canonical SMILES for 2-chlorooxolane;hydrochloride is Cl.ClC1CCCO1.
What is the InChIKey of 2-chlorooxolane;hydrochloride?
The InChIKey is CFLSNPRIQXQWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO.ClH/c5-4-2-1-3-6-4;/h4H,1-3H2;1H.
What are the key properties of 2-chlorooxolane;hydrochloride?
2-chlorooxolane;hydrochloride has a molecular weight of 143.01 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorooxolane;hydrochloride is sourced from PubChem (CID 146484835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).