sodium chloroethane

C2H5ClNa+ — CID 139244047

IUPACsodium chloroethane
SMILESCCCl.[Na+]
InChIInChI=1S/C2H5Cl.Na/c1-2-3;/h2H2,1H3;/q;+1
InChIKeyQPCUWQJWECAMSU-UHFFFAOYSA-N
MW87.50 g/mol
LogP-1.75
Rot. Bonds

About sodium chloroethane

sodium chloroethane (PubChem CID 139244047) has the molecular formula C2H5ClNa+ and a molecular weight of 87.50 g/mol. Its IUPAC name is sodium chloroethane.

Molecular Properties

Compound Namesodium chloroethane
PubChem CID139244047
Molecular FormulaC2H5ClNa+
Molecular Weight87.50 g/mol
Exact Mass87.00
IUPAC Namesodium chloroethane
SMILESCCCl.[Na+]
InChIInChI=1S/C2H5Cl.Na/c1-2-3;/h2H2,1H3;/q;+1
InChIKeyQPCUWQJWECAMSU-UHFFFAOYSA-N
XLogP-1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.50
LogP ≤ 5-1.75
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 sodium chloroethane?
The IUPAC name of sodium chloroethane (CID 139244047) is sodium chloroethane.
What is the SMILES notation for sodium chloroethane?
The canonical SMILES for sodium chloroethane is CCCl.[Na+].
What is the InChIKey of sodium chloroethane?
The InChIKey is QPCUWQJWECAMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl.Na/c1-2-3;/h2H2,1H3;/q;+1.
What are the key properties of sodium chloroethane?
sodium chloroethane has a molecular weight of 87.50 g/mol, XLogP of -1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium chloroethane is sourced from PubChem (CID 139244047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).