chloro(fluoro)methane;molecular hydrogen

CH4ClF — CID 174677093

IUPACchloro(fluoro)methane;molecular hydrogen
SMILESFCCl.[H][H]
InChIInChI=1S/CH2ClF.H2/c2-1-3;/h1H2;1H
InChIKeyIXIMUJHUCHKCHK-UHFFFAOYSA-N
MW70.49 g/mol
LogP1.40
Rot. Bonds

About chloro(fluoro)methane;molecular hydrogen

chloro(fluoro)methane;molecular hydrogen (PubChem CID 174677093) has the molecular formula CH4ClF and a molecular weight of 70.49 g/mol. Its IUPAC name is chloro(fluoro)methane;molecular hydrogen.

Molecular Properties

Compound Namechloro(fluoro)methane;molecular hydrogen
PubChem CID174677093
Molecular FormulaCH4ClF
Molecular Weight70.49 g/mol
Exact Mass70.00
IUPAC Namechloro(fluoro)methane;molecular hydrogen
SMILESFCCl.[H][H]
InChIInChI=1S/CH2ClF.H2/c2-1-3;/h1H2;1H
InChIKeyIXIMUJHUCHKCHK-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.49
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro(fluoro)methane;molecular hydrogen 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 chloro(fluoro)methane;molecular hydrogen?
The IUPAC name of chloro(fluoro)methane;molecular hydrogen (CID 174677093) is chloro(fluoro)methane;molecular hydrogen.
What is the SMILES notation for chloro(fluoro)methane;molecular hydrogen?
The canonical SMILES for chloro(fluoro)methane;molecular hydrogen is FCCl.[H][H].
What is the InChIKey of chloro(fluoro)methane;molecular hydrogen?
The InChIKey is IXIMUJHUCHKCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClF.H2/c2-1-3;/h1H2;1H.
What are the key properties of chloro(fluoro)methane;molecular hydrogen?
chloro(fluoro)methane;molecular hydrogen has a molecular weight of 70.49 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(fluoro)methane;molecular hydrogen is sourced from PubChem (CID 174677093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).