2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide

C5H5F6O4P — CID 87919147

IUPAC2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=P1(OC(F)(C(F)F)C(F)(F)F)OCCO1
InChIInChI=1S/C5H5F6O4P/c6-3(7)4(8,5(9,10)11)15-16(12)13-1-2-14-16/h3H,1-2H2
InChIKeyWXPXXFXXOHRMMF-UHFFFAOYSA-N
MW274.05 g/mol
LogP2.65
Rot. Bonds3

About 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide

2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 87919147) has the molecular formula C5H5F6O4P and a molecular weight of 274.05 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID87919147
Molecular FormulaC5H5F6O4P
Molecular Weight274.05 g/mol
Exact Mass273.98
IUPAC Name2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=P1(OC(F)(C(F)F)C(F)(F)F)OCCO1
InChIInChI=1S/C5H5F6O4P/c6-3(7)4(8,5(9,10)11)15-16(12)13-1-2-14-16/h3H,1-2H2
InChIKeyWXPXXFXXOHRMMF-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.05
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide (CID 87919147) is 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide is O=P1(OC(F)(C(F)F)C(F)(F)F)OCCO1.
What is the InChIKey of 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is WXPXXFXXOHRMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6O4P/c6-3(7)4(8,5(9,10)11)15-16(12)13-1-2-14-16/h3H,1-2H2.
What are the key properties of 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide?
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 274.05 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 87919147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).