phosphanyl fluoromethanesulfonate

CH4FO3PS — CID 87407764

IUPACphosphanyl fluoromethanesulfonate
SMILESO=S(=O)(CF)OP
InChIInChI=1S/CH4FO3PS/c2-1-7(3,4)5-6/h1,6H2
InChIKeyLIRBGCJWJXUWBO-UHFFFAOYSA-N
MW146.08 g/mol
LogP0.05
Rot. Bonds2

About phosphanyl fluoromethanesulfonate

phosphanyl fluoromethanesulfonate (PubChem CID 87407764) has the molecular formula CH4FO3PS and a molecular weight of 146.08 g/mol. Its IUPAC name is phosphanyl fluoromethanesulfonate.

Molecular Properties

Compound Namephosphanyl fluoromethanesulfonate
PubChem CID87407764
Molecular FormulaCH4FO3PS
Molecular Weight146.08 g/mol
Exact Mass145.96
IUPAC Namephosphanyl fluoromethanesulfonate
SMILESO=S(=O)(CF)OP
InChIInChI=1S/CH4FO3PS/c2-1-7(3,4)5-6/h1,6H2
InChIKeyLIRBGCJWJXUWBO-UHFFFAOYSA-N
XLogP0.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphanyl fluoromethanesulfonate?
The IUPAC name of phosphanyl fluoromethanesulfonate (CID 87407764) is phosphanyl fluoromethanesulfonate.
What is the SMILES notation for phosphanyl fluoromethanesulfonate?
The canonical SMILES for phosphanyl fluoromethanesulfonate is O=S(=O)(CF)OP.
What is the InChIKey of phosphanyl fluoromethanesulfonate?
The InChIKey is LIRBGCJWJXUWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4FO3PS/c2-1-7(3,4)5-6/h1,6H2.
What are the key properties of phosphanyl fluoromethanesulfonate?
phosphanyl fluoromethanesulfonate has a molecular weight of 146.08 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl fluoromethanesulfonate is sourced from PubChem (CID 87407764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).