1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane

C4H2F9O2PS — CID 152575055

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane
SMILESO=S(=O)(P)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9O2PS/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h16H2
InChIKeyYSHLBHKDGDOSDE-UHFFFAOYSA-N
MW316.08 g/mol
LogP2.62
Rot. Bonds3

About 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane

1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane (PubChem CID 152575055) has the molecular formula C4H2F9O2PS and a molecular weight of 316.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane
PubChem CID152575055
Molecular FormulaC4H2F9O2PS
Molecular Weight316.08 g/mol
Exact Mass315.94
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane
SMILESO=S(=O)(P)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9O2PS/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h16H2
InChIKeyYSHLBHKDGDOSDE-UHFFFAOYSA-N
XLogP2.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.08
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride
CID 173065496
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecane-1-sulfonate
CID 23533140
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652
potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
CID 141294936
azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride
CID 175311052
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonyl chloride
CID 22623361
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
CID 21267702
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosane-1-sulfonate
CID 88836150
cesium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 87123612
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro(113C)hexane-1-sulfonate
CID 169446237
sodium perfluoroheptanesulfonate
CID 87558139
sulfanium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 22023912

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane (CID 152575055) is 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane is O=S(=O)(P)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane?
The InChIKey is YSHLBHKDGDOSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9O2PS/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h16H2.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane?
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane has a molecular weight of 316.08 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane is sourced from PubChem (CID 152575055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).