difluorophosphorylmethanesulfonyl chloride

CH2ClF2O3PS — CID 12549375

IUPACdifluorophosphorylmethanesulfonyl chloride
SMILESO=P(F)(F)CS(=O)(=O)Cl
InChIInChI=1S/CH2ClF2O3PS/c2-9(6,7)1-8(3,4)5/h1H2
InChIKeyJGCWYQZFJODIJJ-UHFFFAOYSA-N
MW198.51 g/mol
LogP1.64
Rot. Bonds2

About difluorophosphorylmethanesulfonyl chloride

difluorophosphorylmethanesulfonyl chloride (PubChem CID 12549375) has the molecular formula CH2ClF2O3PS and a molecular weight of 198.51 g/mol. Its IUPAC name is difluorophosphorylmethanesulfonyl chloride.

Molecular Properties

Compound Namedifluorophosphorylmethanesulfonyl chloride
PubChem CID12549375
Molecular FormulaCH2ClF2O3PS
Molecular Weight198.51 g/mol
Exact Mass197.91
IUPAC Namedifluorophosphorylmethanesulfonyl chloride
SMILESO=P(F)(F)CS(=O)(=O)Cl
InChIInChI=1S/CH2ClF2O3PS/c2-9(6,7)1-8(3,4)5/h1H2
InChIKeyJGCWYQZFJODIJJ-UHFFFAOYSA-N
XLogP1.64
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.51
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze difluorophosphorylmethanesulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

3-ethylsulfonylpropane-1-sulfonyl chloride
CID 65094375
2-methoxyethanesulfonyl chloride
CID 13480221
CID 21274700
CID 21274700
lithium;fluorophosphonic acid;fluoride
CID 158000068
dichloromethane;methane;sulfuryl dichloride
CID 174545901
lithium;fluoro-dioxido-oxo-λ5-phosphane;iron(2+)
CID 158027187
CID 174050008
CID 174050008
tetralithium;phosphoric acid
CID 175822939
3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
CID 103311335
phosphoric acid;sulfuric acid;trichlorophosphane
CID 174477268
N-(trichloro-λ5-phosphanylidene)sulfamoyl chloride
CID 11021330
3-bromo-3,3-difluoropropane-1-sulfonyl chloride
CID 154577329

Frequently Asked Questions

What is the IUPAC name of difluorophosphorylmethanesulfonyl chloride?
The IUPAC name of difluorophosphorylmethanesulfonyl chloride (CID 12549375) is difluorophosphorylmethanesulfonyl chloride.
What is the SMILES notation for difluorophosphorylmethanesulfonyl chloride?
The canonical SMILES for difluorophosphorylmethanesulfonyl chloride is O=P(F)(F)CS(=O)(=O)Cl.
What is the InChIKey of difluorophosphorylmethanesulfonyl chloride?
The InChIKey is JGCWYQZFJODIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClF2O3PS/c2-9(6,7)1-8(3,4)5/h1H2.
What are the key properties of difluorophosphorylmethanesulfonyl chloride?
difluorophosphorylmethanesulfonyl chloride has a molecular weight of 198.51 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphorylmethanesulfonyl chloride is sourced from PubChem (CID 12549375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).