CID 139242617

C2H4Cl2+ — CID 139242617

IUPAC—
SMILESClCC[Cl+]
InChIInChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2/q+1
InChIKeyIOJMPYSTKIWSQO-UHFFFAOYSA-N
MW98.96 g/mol
LogP0.77
Rot. Bonds1

About CID 139242617

CID 139242617 (PubChem CID 139242617) has the molecular formula C2H4Cl2+ and a molecular weight of 98.96 g/mol.

Molecular Properties

Compound NameCID 139242617
PubChem CID139242617
Molecular FormulaC2H4Cl2+
Molecular Weight98.96 g/mol
Exact Mass97.97
IUPAC Name—
SMILESClCC[Cl+]
InChIInChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2/q+1
InChIKeyIOJMPYSTKIWSQO-UHFFFAOYSA-N
XLogP0.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.96
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 CID 139242617?
The IUPAC name of CID 139242617 (CID 139242617) is not available.
What is the SMILES notation for CID 139242617?
The canonical SMILES for CID 139242617 is ClCC[Cl+].
What is the InChIKey of CID 139242617?
The InChIKey is IOJMPYSTKIWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2/q+1.
What are the key properties of CID 139242617?
CID 139242617 has a molecular weight of 98.96 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139242617 is sourced from PubChem (CID 139242617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).