bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium

C6H2F12O3P+ — CID 6336379

IUPACbis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium
SMILESO=[P+](OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O3P/c7-3(8,9)1(4(10,11)12)20-22(19)21-2(5(13,14)15)6(16,17)18/h1-2H/q+1
InChIKeyCQOZRHAWZDUAFB-UHFFFAOYSA-N
MW381.03 g/mol
LogP4.66
Rot. Bonds4

About bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium

bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium (PubChem CID 6336379) has the molecular formula C6H2F12O3P+ and a molecular weight of 381.03 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium
PubChem CID6336379
Molecular FormulaC6H2F12O3P+
Molecular Weight381.03 g/mol
Exact Mass380.95
IUPAC Namebis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium
SMILESO=[P+](OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O3P/c7-3(8,9)1(4(10,11)12)20-22(19)21-2(5(13,14)15)6(16,17)18/h1-2H/q+1
InChIKeyCQOZRHAWZDUAFB-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.03
LogP ≤ 54.66
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 bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium?
The IUPAC name of bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium (CID 6336379) is bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium.
What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium?
The canonical SMILES for bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium is O=[P+](OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium?
The InChIKey is CQOZRHAWZDUAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O3P/c7-3(8,9)1(4(10,11)12)20-22(19)21-2(5(13,14)15)6(16,17)18/h1-2H/q+1.
What are the key properties of bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium?
bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium has a molecular weight of 381.03 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-oxophosphanium is sourced from PubChem (CID 6336379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).