chloromethane

CH2Cl- — CID 12662255

IUPACchloromethane
SMILES[CH2-]Cl
InChIInChI=1S/CH2Cl/c1-2/h1H2/q-1
InChIKeySHHGMNVGSJSUSZ-UHFFFAOYSA-N
MW49.48 g/mol
LogP1.02
Rot. Bonds

About chloromethane

chloromethane (PubChem CID 12662255) has the molecular formula CH2Cl- and a molecular weight of 49.48 g/mol. Its IUPAC name is chloromethane.

Molecular Properties

Compound Namechloromethane
PubChem CID12662255
Molecular FormulaCH2Cl-
Molecular Weight49.48 g/mol
Exact Mass48.99
IUPAC Namechloromethane
SMILES[CH2-]Cl
InChIInChI=1S/CH2Cl/c1-2/h1H2/q-1
InChIKeySHHGMNVGSJSUSZ-UHFFFAOYSA-N
XLogP1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50049.48
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloromethane 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?
The IUPAC name of chloromethane (CID 12662255) is chloromethane.
What is the SMILES notation for chloromethane?
The canonical SMILES for chloromethane is [CH2-]Cl.
What is the InChIKey of chloromethane?
The InChIKey is SHHGMNVGSJSUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl/c1-2/h1H2/q-1.
What are the key properties of chloromethane?
chloromethane has a molecular weight of 49.48 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane is sourced from PubChem (CID 12662255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).