5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane

C16H10F24O3 — CID 14533033

IUPAC5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C16H10F24O3/c17-4(18)11(29,30)14(35,36)8(23,24)1-41-7(42-2-9(25,26)15(37,38)12(31,32)5(19)20)43-3-10(27,28)16(39,40)13(33,34)6(21)22/h4-7H,1-3H2
InChIKeyOFDPBWCAOWDCAH-UHFFFAOYSA-N
MW706.20 g/mol
LogP7.83
Rot. Bonds18

About 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane

5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane (PubChem CID 14533033) has the molecular formula C16H10F24O3 and a molecular weight of 706.20 g/mol. Its IUPAC name is 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane.

Molecular Properties

Compound Name5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane
PubChem CID14533033
Molecular FormulaC16H10F24O3
Molecular Weight706.20 g/mol
Exact Mass706.02
IUPAC Name5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C16H10F24O3/c17-4(18)11(29,30)14(35,36)8(23,24)1-41-7(42-2-9(25,26)15(37,38)12(31,32)5(19)20)43-3-10(27,28)16(39,40)13(33,34)6(21)22/h4-7H,1-3H2
InChIKeyOFDPBWCAOWDCAH-UHFFFAOYSA-N
XLogP7.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.20
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-5-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}pentane
CID 618624
[Bis(octafluoro-amyloxy)methane]
CID 129763202
7-(Bis((2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy)methoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
CID 417122
3,3'-[Oxybis(methyleneoxy)]bis(1,1,2,2-tetrafluoropropane)
CID 1798214
1,1,1,2,2,3,3,4,4-Nonafluoro-5-(2,2,3,3,4,4,5,5,5-nonafluoropentoxymethoxymethoxy)pentane
CID 23264802
1,1,2,2,3,3,4,4-Octafluoro-5-({[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}methoxy)pentane
CID 2780752
2-[(2,2,3,3,4,4,5,5-Octafluoropentyl)oxy]-1,3-dioxolane
CID 2780753
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxymethoxy)butane
CID 19425313
1-(1,1,2-Trifluoroethoxymethoxy)pentane
CID 20675044
1-(4,4,4-Trifluorobutoxymethoxy)pentane
CID 22712819
1-(2,2-Difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)
CID 58017926
1,1,1,2,2,3,3-Heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane
CID 58362270

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane?
The IUPAC name of 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane (CID 14533033) is 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane.
What is the SMILES notation for 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane?
The canonical SMILES for 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane 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)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane?
The InChIKey is OFDPBWCAOWDCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F24O3/c17-4(18)11(29,30)14(35,36)8(23,24)1-41-7(42-2-9(25,26)15(37,38)12(31,32)5(19)20)43-3-10(27,28)16(39,40)13(33,34)6(21)22/h4-7H,1-3H2.
What are the key properties of 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane?
5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane has a molecular weight of 706.20 g/mol, XLogP of 7.83, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane is sourced from PubChem (CID 14533033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).