chloroethane

C2H5Cl — CID 6337

💊View drug profile → ethyl chloride
IUPACchloroethane
SMILESCCCl
InChIInChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
InChIKeyHRYZWHHZPQKTII-UHFFFAOYSA-N
MW64.52 g/mol
LogP1.25
Rot. Bonds

About chloroethane

chloroethane (PubChem CID 6337) has the molecular formula C2H5Cl and a molecular weight of 64.52 g/mol. Its IUPAC name is chloroethane.

Molecular Properties

Compound Namechloroethane
PubChem CID6337
Molecular FormulaC2H5Cl
Molecular Weight64.52 g/mol
Exact Mass64.01
IUPAC Namechloroethane
SMILESCCCl
InChIInChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
InChIKeyHRYZWHHZPQKTII-UHFFFAOYSA-N
XLogP1.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.52
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Chloropropane
CID 6361
2-Chloropropane-d7
CID 16217392
Ethane-1,1-d2, 1-chloro-
CID 16217388
Chloro(~13~C_2_)ethane
CID 16217389
Ethane-d5, chloro-
CID 56845945
Chloro(1-~13~C)ethane
CID 71308852
Chloro(2-~13~C)ethane
CID 71309232
CID 12518251
CID 12518251
Lithium chloroethane
CID 13512634
Ethylchloride hydrochloride
CID 21954268
Deuterochloroethane
CID 53972047
Sodium chloroethane
CID 139244047

Frequently Asked Questions

What is the IUPAC name of chloroethane?
The IUPAC name of chloroethane (CID 6337) is chloroethane.
What is the SMILES notation for chloroethane?
The canonical SMILES for chloroethane is CCCl.
What is the InChIKey of chloroethane?
The InChIKey is HRYZWHHZPQKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3.
What are the key properties of chloroethane?
chloroethane has a molecular weight of 64.52 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane is sourced from PubChem (CID 6337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).