chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane

CH3ClFPS — CID 583465

IUPACchloro-fluoro-methyl-sulfanylidene-lambda5-phosphane
SMILESCP(F)(=S)Cl
InChIInChI=1S/CH3ClFPS/c1-4(2,3)5/h1H3
InChIKeyJFMXPPBAWKYVLG-UHFFFAOYSA-N
MW132.53 g/mol
LogP2.13
Rot. Bonds

About chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane

chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane (PubChem CID 583465) has the molecular formula CH3ClFPS and a molecular weight of 132.53 g/mol. Its IUPAC name is chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namechloro-fluoro-methyl-sulfanylidene-lambda5-phosphane
PubChem CID583465
Molecular FormulaCH3ClFPS
Molecular Weight132.53 g/mol
Exact Mass131.94
IUPAC Namechloro-fluoro-methyl-sulfanylidene-lambda5-phosphane
SMILESCP(F)(=S)Cl
InChIInChI=1S/CH3ClFPS/c1-4(2,3)5/h1H3
InChIKeyJFMXPPBAWKYVLG-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.53
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane (CID 583465) is chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane is CP(F)(=S)Cl.
What is the InChIKey of chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane?
The InChIKey is JFMXPPBAWKYVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClFPS/c1-4(2,3)5/h1H3.
What are the key properties of chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane?
chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane has a molecular weight of 132.53 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 583465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).