chloromethane;propane

C4H11Cl — CID 21282219

IUPACchloromethane;propane
SMILESCCC.CCl
InChIInChI=1S/C3H8.CH3Cl/c1-3-2;1-2/h3H2,1-2H3;1H3
InChIKeyJXWUDJUAXCJPMR-UHFFFAOYSA-N
MW94.58 g/mol
LogP2.27
Rot. Bonds

About chloromethane;propane

chloromethane;propane (PubChem CID 21282219) has the molecular formula C4H11Cl and a molecular weight of 94.58 g/mol. Its IUPAC name is chloromethane;propane.

Molecular Properties

Compound Namechloromethane;propane
PubChem CID21282219
Molecular FormulaC4H11Cl
Molecular Weight94.58 g/mol
Exact Mass94.05
IUPAC Namechloromethane;propane
SMILESCCC.CCl
InChIInChI=1S/C3H8.CH3Cl/c1-3-2;1-2/h3H2,1-2H3;1H3
InChIKeyJXWUDJUAXCJPMR-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.58
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloromethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloromethane;propane?
The IUPAC name of chloromethane;propane (CID 21282219) is chloromethane;propane.
What is the SMILES notation for chloromethane;propane?
The canonical SMILES for chloromethane;propane is CCC.CCl.
What is the InChIKey of chloromethane;propane?
The InChIKey is JXWUDJUAXCJPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.CH3Cl/c1-3-2;1-2/h3H2,1-2H3;1H3.
What are the key properties of chloromethane;propane?
chloromethane;propane has a molecular weight of 94.58 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;propane is sourced from PubChem (CID 21282219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).