4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one

C10H4F12O5 — CID 153312351

IUPAC4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one
SMILESO=c1occ(COC(F)(F)C(F)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H4F12O5/c11-6(12,13)4(7(14,15)16)27-8(17,9(18,19)20)10(21,22)25-2-3-1-24-5(23)26-3/h1,4H,2H2
InChIKeyBAVSUHLQAHXUKS-UHFFFAOYSA-N
MW432.11 g/mol
LogP4.08
Rot. Bonds6

About 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one

4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one (PubChem CID 153312351) has the molecular formula C10H4F12O5 and a molecular weight of 432.11 g/mol. Its IUPAC name is 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one
PubChem CID153312351
Molecular FormulaC10H4F12O5
Molecular Weight432.11 g/mol
Exact Mass431.99
IUPAC Name4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one
SMILESO=c1occ(COC(F)(F)C(F)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H4F12O5/c11-6(12,13)4(7(14,15)16)27-8(17,9(18,19)20)10(21,22)25-2-3-1-24-5(23)26-3/h1,4H,2H2
InChIKeyBAVSUHLQAHXUKS-UHFFFAOYSA-N
XLogP4.08
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.11
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one?
The IUPAC name of 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one (CID 153312351) is 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one is O=c1occ(COC(F)(F)C(F)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one?
The InChIKey is BAVSUHLQAHXUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F12O5/c11-6(12,13)4(7(14,15)16)27-8(17,9(18,19)20)10(21,22)25-2-3-1-24-5(23)26-3/h1,4H,2H2.
What are the key properties of 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one?
4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one has a molecular weight of 432.11 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,1,2,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one is sourced from PubChem (CID 153312351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).