1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane

C10H4F18O — CID 57237607

IUPAC1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane
SMILESFC(F)(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F18O/c11-3(12,7(19,20)21)1-5(15,16)9(25,26)29-10(27,28)6(17,18)2-4(13,14)8(22,23)24/h1-2H2
InChIKeyZBQSZVXQNXWVGX-UHFFFAOYSA-N
MW482.11 g/mol
LogP6.63
Rot. Bonds8

About 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane

1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane (PubChem CID 57237607) has the molecular formula C10H4F18O and a molecular weight of 482.11 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane
PubChem CID57237607
Molecular FormulaC10H4F18O
Molecular Weight482.11 g/mol
Exact Mass482.00
IUPAC Name1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane
SMILESFC(F)(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F18O/c11-3(12,7(19,20)21)1-5(15,16)9(25,26)29-10(27,28)6(17,18)2-4(13,14)8(22,23)24/h1-2H2
InChIKeyZBQSZVXQNXWVGX-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.11
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
1,1'-Oxybis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane)
CID 136314
Pentane, 1,1'-oxybis[2,2,3,3,4,4,5,5-octafluoro-
CID 12100158
2,2,2-Trifluoroethyl-1,1,2,2-tetrafluoroethyl ether
CID 87337995
2,2,6,6-Tetrafluorotetrahydropyrane
CID 129670295
Tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether
CID 137423381
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 14004511
Tetrafluoropropyl octafluoro-pentyl ether
CID 129761689
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)pentane
CID 12596614
1,1,1,2,2-Pentafluoro-5-(4,4,5,5,5-pentafluoropentoxy)pentane
CID 11859046
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 14832369
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-propoxypentane
CID 18519649

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane?
The IUPAC name of 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane (CID 57237607) is 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane.
What is the SMILES notation for 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane?
The canonical SMILES for 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane is FC(F)(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane?
The InChIKey is ZBQSZVXQNXWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F18O/c11-3(12,7(19,20)21)1-5(15,16)9(25,26)29-10(27,28)6(17,18)2-4(13,14)8(22,23)24/h1-2H2.
What are the key properties of 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane?
1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane has a molecular weight of 482.11 g/mol, XLogP of 6.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,4,5,5-nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane is sourced from PubChem (CID 57237607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).