2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol

C14H3F27O4 — CID 139797312

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol

2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol (PubChem CID 139797312) has the molecular formula C14H3F27O4 and a molecular weight of 748.12 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol
• PubChem CID: 139797312
• Molecular Formula: C14H3F27O4
• Molecular Weight: 748.12 g/mol
• Exact Mass: 747.96
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol
• SMILES: OC(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
• InChI: InChI=1S/C14H3F27O4/c15-1(16)3(17,18)5(21,22)6(23,24)4(19,20)2(42)43-11(34,35)12(36,37)45-14(40,41)13(38,39)44-10(32,33)8(27,28)7(25,26)9(29,30)31/h1-2,42H
• InChIKey: OMXLXDVTOALLLC-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.12
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol?

The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol (CID 139797312) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol.

What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol?

The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol is OC(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.

What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol?

The InChIKey is OMXLXDVTOALLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H3F27O4/c15-1(16)3(17,18)5(21,22)6(23,24)4(19,20)2(42)43-11(34,35)12(36,37)45-14(40,41)13(38,39)44-10(32,33)8(27,28)7(25,26)9(29,30)31/h1-2,42H.

What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol?

2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol has a molecular weight of 748.12 g/mol, XLogP of 7.96, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol is sourced from PubChem (CID 139797312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).