1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane

C10H6F16O — CID 137423381

IUPAC1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane
SMILESFC(C(F)(F)F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-3(9(21,22)23)7(17,18)5(13,14)1-27-2-6(15,16)8(19,20)4(12)10(24,25)26/h3-4H,1-2H2
InChIKeyFPNKQTGGHYMKGO-UHFFFAOYSA-N
MW446.13 g/mol
LogP5.34
Rot. Bonds8

About 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane

1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane (PubChem CID 137423381) has the molecular formula C10H6F16O and a molecular weight of 446.13 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane
PubChem CID137423381
Molecular FormulaC10H6F16O
Molecular Weight446.13 g/mol
Exact Mass446.02
IUPAC Name1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane
SMILESFC(C(F)(F)F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-3(9(21,22)23)7(17,18)5(13,14)1-27-2-6(15,16)8(19,20)4(12)10(24,25)26/h3-4H,1-2H2
InChIKeyFPNKQTGGHYMKGO-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane with MolForge

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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
5-(Difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 22436579
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
CID 22646028
1-Ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 23432499
1,1,1,2,2,3,3,4,4-Nonafluoro-6-propoxyhexane
CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373
(Perfluorohexyl)ethyl ether
CID 87277022
2,2,3,3,4,4,5,5-Octafluoropentyl difluoromethylether
CID 10333943
Decafluoro-di-n-pentylether
CID 11688646
Pentane, 1,1'-oxybis[2,2,3,3,4,4,5,5-octafluoro-
CID 12100158

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane?
The IUPAC name of 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane (CID 137423381) is 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane.
What is the SMILES notation for 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane?
The canonical SMILES for 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane is FC(C(F)(F)F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane?
The InChIKey is FPNKQTGGHYMKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O/c11-3(9(21,22)23)7(17,18)5(13,14)1-27-2-6(15,16)8(19,20)4(12)10(24,25)26/h3-4H,1-2H2.
What are the key properties of 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane?
1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane has a molecular weight of 446.13 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,5,5,5-octafluoropentoxy)pentane is sourced from PubChem (CID 137423381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).