1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane

C10H6F16O — CID 87338019

IUPAC1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane
SMILESFC(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)F
InChIInChI=1S/C10H6F16O/c11-3(12)5(15,16)1-7(19,20)9(23,24)27-10(25,26)8(21,22)2-6(17,18)4(13)14/h3-4H,1-2H2
InChIKeyCNDBQPPWLHOQAR-UHFFFAOYSA-N
MW446.13 g/mol
LogP6.04
Rot. Bonds10

About 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane

1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane (PubChem CID 87338019) has the molecular formula C10H6F16O and a molecular weight of 446.13 g/mol. Its IUPAC name is 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane
PubChem CID87338019
Molecular FormulaC10H6F16O
Molecular Weight446.13 g/mol
Exact Mass446.02
IUPAC Name1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane
SMILESFC(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)F
InChIInChI=1S/C10H6F16O/c11-3(12)5(15,16)1-7(19,20)9(23,24)27-10(25,26)8(21,22)2-6(17,18)4(13)14/h3-4H,1-2H2
InChIKeyCNDBQPPWLHOQAR-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane?
The IUPAC name of 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane (CID 87338019) is 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane.
What is the SMILES notation for 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane?
The canonical SMILES for 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane is FC(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane?
The InChIKey is CNDBQPPWLHOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O/c11-3(12)5(15,16)1-7(19,20)9(23,24)27-10(25,26)8(21,22)2-6(17,18)4(13)14/h3-4H,1-2H2.
What are the key properties of 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane?
1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane has a molecular weight of 446.13 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,4,4,5,5-octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane is sourced from PubChem (CID 87338019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).