difluoromethylsulfanylphosphonic acid

CH3F2O3PS — CID 91266269

IUPACdifluoromethylsulfanylphosphonic acid
SMILESO=P(O)(O)SC(F)F
InChIInChI=1S/CH3F2O3PS/c2-1(3)8-7(4,5)6/h1H,(H2,4,5,6)
InChIKeyFYRWVEQIKVYNKD-UHFFFAOYSA-N
MW164.07 g/mol
LogP1.03
Rot. Bonds2

About difluoromethylsulfanylphosphonic acid

difluoromethylsulfanylphosphonic acid (PubChem CID 91266269) has the molecular formula CH3F2O3PS and a molecular weight of 164.07 g/mol. Its IUPAC name is difluoromethylsulfanylphosphonic acid.

Molecular Properties

Compound Namedifluoromethylsulfanylphosphonic acid
PubChem CID91266269
Molecular FormulaCH3F2O3PS
Molecular Weight164.07 g/mol
Exact Mass163.95
IUPAC Namedifluoromethylsulfanylphosphonic acid
SMILESO=P(O)(O)SC(F)F
InChIInChI=1S/CH3F2O3PS/c2-1(3)8-7(4,5)6/h1H,(H2,4,5,6)
InChIKeyFYRWVEQIKVYNKD-UHFFFAOYSA-N
XLogP1.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175988540
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oxoniobium;phosphoric acid
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bis(propan-2-ylsulfanyl)phosphinic acid
CID 12518112
difluoromethyl(phosphono)azanide
CID 149253138
copper;fluorophosphonic acid
CID 173104152
bis(difluorophosphinic acid);hydrate
CID 56776517
fluorophosphonic acid;dihydroiodide
CID 172705626
fluorophosphonic acid;zinc
CID 173113621
alumane;fluorophosphonic acid
CID 173163644
[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid
CID 58756569

Frequently Asked Questions

What is the IUPAC name of difluoromethylsulfanylphosphonic acid?
The IUPAC name of difluoromethylsulfanylphosphonic acid (CID 91266269) is difluoromethylsulfanylphosphonic acid.
What is the SMILES notation for difluoromethylsulfanylphosphonic acid?
The canonical SMILES for difluoromethylsulfanylphosphonic acid is O=P(O)(O)SC(F)F.
What is the InChIKey of difluoromethylsulfanylphosphonic acid?
The InChIKey is FYRWVEQIKVYNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3F2O3PS/c2-1(3)8-7(4,5)6/h1H,(H2,4,5,6).
What are the key properties of difluoromethylsulfanylphosphonic acid?
difluoromethylsulfanylphosphonic acid has a molecular weight of 164.07 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylsulfanylphosphonic acid is sourced from PubChem (CID 91266269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).