1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane

C13H6F22O2 — CID 10438735

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H6F22O2/c14-3(15)7(22,23)9(26,27)5(18,19)1-36-11(12(30,31)32,13(33,34)35)37-2-6(20,21)10(28,29)8(24,25)4(16)17/h3-4H,1-2H2
InChIKeyPFYHDYHBHXMXIR-UHFFFAOYSA-N
MW612.14 g/mol
LogP7.18
Rot. Bonds12

About 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane

1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane (PubChem CID 10438735) has the molecular formula C13H6F22O2 and a molecular weight of 612.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane
PubChem CID10438735
Molecular FormulaC13H6F22O2
Molecular Weight612.14 g/mol
Exact Mass612.00
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H6F22O2/c14-3(15)7(22,23)9(26,27)5(18,19)1-36-11(12(30,31)32,13(33,34)35)37-2-6(20,21)10(28,29)8(24,25)4(16)17/h3-4H,1-2H2
InChIKeyPFYHDYHBHXMXIR-UHFFFAOYSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.14
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane (CID 10438735) is 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane is FC(F)C(F)(F)C(F)(F)C(F)(F)COC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane?
The InChIKey is PFYHDYHBHXMXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F22O2/c14-3(15)7(22,23)9(26,27)5(18,19)1-36-11(12(30,31)32,13(33,34)35)37-2-6(20,21)10(28,29)8(24,25)4(16)17/h3-4H,1-2H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane?
1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane has a molecular weight of 612.14 g/mol, XLogP of 7.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane is sourced from PubChem (CID 10438735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).