tris(2,2,3,3-tetrafluoropropyl) phosphate

C9H9F12O4P — CID 4106535

IUPACtris(2,2,3,3-tetrafluoropropyl) phosphate
SMILESO=P(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C9H9F12O4P/c10-4(11)7(16,17)1-23-26(22,24-2-8(18,19)5(12)13)25-3-9(20,21)6(14)15/h4-6H,1-3H2
InChIKeyYZQXAGZTJRSUJT-UHFFFAOYSA-N
MW440.12 g/mol
LogP4.85
Rot. Bonds12

About tris(2,2,3,3-tetrafluoropropyl) phosphate

tris(2,2,3,3-tetrafluoropropyl) phosphate (PubChem CID 4106535) has the molecular formula C9H9F12O4P and a molecular weight of 440.12 g/mol. Its IUPAC name is tris(2,2,3,3-tetrafluoropropyl) phosphate.

Molecular Properties

Compound Nametris(2,2,3,3-tetrafluoropropyl) phosphate
PubChem CID4106535
Molecular FormulaC9H9F12O4P
Molecular Weight440.12 g/mol
Exact Mass440.00
IUPAC Nametris(2,2,3,3-tetrafluoropropyl) phosphate
SMILESO=P(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C9H9F12O4P/c10-4(11)7(16,17)1-23-26(22,24-2-8(18,19)5(12)13)25-3-9(20,21)6(14)15/h4-6H,1-3H2
InChIKeyYZQXAGZTJRSUJT-UHFFFAOYSA-N
XLogP4.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.12
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate
CID 2778037
Tris(2,2,2-Trifluoroethyl) phosphate
CID 303454
Bis(3,3,3-trifluoropropyl) hydrogen phosphate
CID 171653
Tris(1H,1H-heptafluorobutyl)phosphate
CID 2778036
bis((Perfluoropropyl)methyl) phosphorochloridoate
CID 12489685
2,2,3,3-Tetrafluoropropyl Dihydrogen Phosphate
CID 14027070
Azanium;bis(2,2,3,3,4,4,4-heptafluorobutyl) phosphate
CID 158297336
Bis(2,2,2-trifluoroethyl) Phosphite
CID 6386648
2,2,3,3,4,4,4-Heptafluorobutyl Dihydrogen Phosphate
CID 138396490
Phosphite, tris(2,2,3,3-tetrafluoropropyl)-
CID 137513
Tris(1,1,1,3,3,3-hexafluoro-2-propyl) Phosphate
CID 13681431
Tetrakis(2,2,3,3-tetrafluoropropoxy)methylphosphorane
CID 14893552

Frequently Asked Questions

What is the IUPAC name of tris(2,2,3,3-tetrafluoropropyl) phosphate?
The IUPAC name of tris(2,2,3,3-tetrafluoropropyl) phosphate (CID 4106535) is tris(2,2,3,3-tetrafluoropropyl) phosphate.
What is the SMILES notation for tris(2,2,3,3-tetrafluoropropyl) phosphate?
The canonical SMILES for tris(2,2,3,3-tetrafluoropropyl) phosphate is O=P(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of tris(2,2,3,3-tetrafluoropropyl) phosphate?
The InChIKey is YZQXAGZTJRSUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F12O4P/c10-4(11)7(16,17)1-23-26(22,24-2-8(18,19)5(12)13)25-3-9(20,21)6(14)15/h4-6H,1-3H2.
What are the key properties of tris(2,2,3,3-tetrafluoropropyl) phosphate?
tris(2,2,3,3-tetrafluoropropyl) phosphate has a molecular weight of 440.12 g/mol, XLogP of 4.85, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2,3,3-tetrafluoropropyl) phosphate is sourced from PubChem (CID 4106535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).