dimethylphosphoryl(fluoro)methanesulfinate;rhenium

C3H7FO3PReS- — CID 59908256

IUPACdimethylphosphoryl(fluoro)methanesulfinate;rhenium
SMILESCP(C)(=O)C(F)S(=O)[O-].[Re]
InChIInChI=1S/C3H8FO3PS.Re/c1-8(2,5)3(4)9(6)7;/h3H,1-2H3,(H,6,7);/p-1
InChIKeyMIABGNNUDKEWBO-UHFFFAOYSA-M
MW359.33 g/mol
LogP0.74
Rot. Bonds2

About dimethylphosphoryl(fluoro)methanesulfinate;rhenium

dimethylphosphoryl(fluoro)methanesulfinate;rhenium (PubChem CID 59908256) has the molecular formula C3H7FO3PReS- and a molecular weight of 359.33 g/mol. Its IUPAC name is dimethylphosphoryl(fluoro)methanesulfinate;rhenium.

Molecular Properties

Compound Namedimethylphosphoryl(fluoro)methanesulfinate;rhenium
PubChem CID59908256
Molecular FormulaC3H7FO3PReS-
Molecular Weight359.33 g/mol
Exact Mass359.94
IUPAC Namedimethylphosphoryl(fluoro)methanesulfinate;rhenium
SMILESCP(C)(=O)C(F)S(=O)[O-].[Re]
InChIInChI=1S/C3H8FO3PS.Re/c1-8(2,5)3(4)9(6)7;/h3H,1-2H3,(H,6,7);/p-1
InChIKeyMIABGNNUDKEWBO-UHFFFAOYSA-M
XLogP0.74
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc;bis(difluoromethanesulfinate);hydrate
CID 140663281
1,1,3,3-tetrafluoropropane-2-sulfinate
CID 91562788
lithium;amino(fluoro)methanesulfinate;hydride
CID 174808925
diazanium;phosphoric acid;sulfite
CID 158390689
bis(dimethylphosphoryl)methanamine
CID 23398083
sodium;hydrogen sulfite;phosphoric acid
CID 160752930
phosphoric acid;tetrafluorophosphanium
CID 175988540
2-fluoropropane-1-sulfinate
CID 23206811
1,2,2-trifluoro-2-methoxyethanesulfinate
CID 89191515
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
2,2-difluoroethanesulfinate
CID 23206833
2-fluoro-3-sulfinatosulfanylbutane
CID 166950399

Frequently Asked Questions

What is the IUPAC name of dimethylphosphoryl(fluoro)methanesulfinate;rhenium?
The IUPAC name of dimethylphosphoryl(fluoro)methanesulfinate;rhenium (CID 59908256) is dimethylphosphoryl(fluoro)methanesulfinate;rhenium.
What is the SMILES notation for dimethylphosphoryl(fluoro)methanesulfinate;rhenium?
The canonical SMILES for dimethylphosphoryl(fluoro)methanesulfinate;rhenium is CP(C)(=O)C(F)S(=O)[O-].[Re].
What is the InChIKey of dimethylphosphoryl(fluoro)methanesulfinate;rhenium?
The InChIKey is MIABGNNUDKEWBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8FO3PS.Re/c1-8(2,5)3(4)9(6)7;/h3H,1-2H3,(H,6,7);/p-1.
What are the key properties of dimethylphosphoryl(fluoro)methanesulfinate;rhenium?
dimethylphosphoryl(fluoro)methanesulfinate;rhenium has a molecular weight of 359.33 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphoryl(fluoro)methanesulfinate;rhenium is sourced from PubChem (CID 59908256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).