2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane

C10F20O — CID 167433158

About 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane

2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane (PubChem CID 167433158) has the molecular formula C10F20O and a molecular weight of 516.07 g/mol. Its IUPAC name is 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane.

Molecular Properties

• Compound Name: 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
• PubChem CID: 167433158
• Molecular Formula: C10F20O
• Molecular Weight: 516.07 g/mol
• Exact Mass: 515.96
• IUPAC Name: 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
• SMILES: FC(F)(F)C(F)(C(F)(F)F)C1(F)OC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
• InChI: InChI=1S/C10F20O/c11-1(7(19,20)21,8(22,23)24)5(17)3(13,14)4(15,16)6(18,31-5)2(12,9(25,26)27)10(28,29)30
• InChIKey: CKBKROSJDOIXDB-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.07
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane?

The IUPAC name of 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane (CID 167433158) is 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane.

What is the SMILES notation for 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane?

The canonical SMILES for 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane is FC(F)(F)C(F)(C(F)(F)F)C1(F)OC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F.

What is the InChIKey of 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane?

The InChIKey is CKBKROSJDOIXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20O/c11-1(7(19,20)21,8(22,23)24)5(17)3(13,14)4(15,16)6(18,31-5)2(12,9(25,26)27)10(28,29)30.

What are the key properties of 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane?

2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane has a molecular weight of 516.07 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3,4,4,5-hexafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane is sourced from PubChem (CID 167433158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).