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

C11H8F16O2 — CID 618624

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H8F16O2/c12-4(13)8(20,21)10(24,25)6(16,17)1-28-3-29-2-7(18,19)11(26,27)9(22,23)5(14)15/h4-5H,1-3H2
InChIKeyWRQVEYLQVQPLKN-UHFFFAOYSA-N
MW476.15 g/mol
LogP5.32
Rot. Bonds12

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

1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane (PubChem CID 618624) has the molecular formula C11H8F16O2 and a molecular weight of 476.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane
PubChem CID618624
Molecular FormulaC11H8F16O2
Molecular Weight476.15 g/mol
Exact Mass476.03
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H8F16O2/c12-4(13)8(20,21)10(24,25)6(16,17)1-28-3-29-2-7(18,19)11(26,27)9(22,23)5(14)15/h4-5H,1-3H2
InChIKeyWRQVEYLQVQPLKN-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.15
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2,3,3,4,4,5,5-octafluoropentyl)carbonate
CID 14090569
Di-(1,1,3-trihydrotetrafluoropropoxy)methane
CID 12839497
2,2,3,3,4,4,5,5-Octafluoropentyl ethyl carbonate
CID 14533042
[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
5-[Bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane
CID 14533033
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxymethoxy)butane
CID 19425313
1-(1,1,1,3,3,3-Hexafluoro-2-methoxypropan-2-yl)oxypentane
CID 19761968

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane (CID 618624) is 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane is FC(F)C(F)(F)C(F)(F)C(F)(F)COCOCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane?
The InChIKey is WRQVEYLQVQPLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F16O2/c12-4(13)8(20,21)10(24,25)6(16,17)1-28-3-29-2-7(18,19)11(26,27)9(22,23)5(14)15/h4-5H,1-3H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane?
1,1,2,2,3,3,4,4-octafluoro-5-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane has a molecular weight of 476.15 g/mol, XLogP of 5.32, 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-(2,2,3,3,4,4,5,5-octafluoropentoxymethoxy)pentane is sourced from PubChem (CID 618624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).