2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane

C11H3F19O2 — CID 91981807

IUPAC2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane
SMILESCOC1(C(F)(C(F)(F)F)C(F)(F)F)OC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11H3F19O2/c1-31-7(3(13,10(25,26)27)11(28,29)30)5(16,17)4(14,15)6(18,32-7)2(12,8(19,20)21)9(22,23)24/h1H3
InChIKeyYRGYOFYTTFLPQM-UHFFFAOYSA-N
MW528.11 g/mol
LogP5.96
Rot. Bonds3

About 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane

2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane (PubChem CID 91981807) has the molecular formula C11H3F19O2 and a molecular weight of 528.11 g/mol. Its IUPAC name is 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane.

Molecular Properties

Compound Name2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane
PubChem CID91981807
Molecular FormulaC11H3F19O2
Molecular Weight528.11 g/mol
Exact Mass527.98
IUPAC Name2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane
SMILESCOC1(C(F)(C(F)(F)F)C(F)(F)F)OC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11H3F19O2/c1-31-7(3(13,10(25,26)27)11(28,29)30)5(16,17)4(14,15)6(18,32-7)2(12,8(19,20)21)9(22,23)24/h1H3
InChIKeyYRGYOFYTTFLPQM-UHFFFAOYSA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.11
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane?
The IUPAC name of 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane (CID 91981807) is 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane.
What is the SMILES notation for 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane?
The canonical SMILES for 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane is COC1(C(F)(C(F)(F)F)C(F)(F)F)OC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane?
The InChIKey is YRGYOFYTTFLPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F19O2/c1-31-7(3(13,10(25,26)27)11(28,29)30)5(16,17)4(14,15)6(18,32-7)2(12,8(19,20)21)9(22,23)24/h1H3.
What are the key properties of 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane?
2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane has a molecular weight of 528.11 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane is sourced from PubChem (CID 91981807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).