1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane

C6H2F13O3P — CID 12731028

IUPAC1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane
SMILESO=P(F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F13O3P/c7-3(8,9)1(4(10,11)12)21-23(19,20)22-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyWFLBJGJOAIKCQO-UHFFFAOYSA-N
MW400.03 g/mol
LogP5.08
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane

1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane (PubChem CID 12731028) has the molecular formula C6H2F13O3P and a molecular weight of 400.03 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane
PubChem CID12731028
Molecular FormulaC6H2F13O3P
Molecular Weight400.03 g/mol
Exact Mass399.95
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane
SMILESO=P(F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F13O3P/c7-3(8,9)1(4(10,11)12)21-23(19,20)22-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyWFLBJGJOAIKCQO-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.03
LogP ≤ 55.08
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 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane (CID 12731028) is 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane is O=P(F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is WFLBJGJOAIKCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F13O3P/c7-3(8,9)1(4(10,11)12)21-23(19,20)22-2(5(13,14)15)6(16,17)18/h1-2H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane?
1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 400.03 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 12731028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).