bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate

C11H6F16O3 — CID 14090569

IUPACbis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate
SMILESO=C(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/C11H6F16O3/c12-3(13)8(20,21)10(24,25)6(16,17)1-29-5(28)30-2-7(18,19)11(26,27)9(22,23)4(14)15/h3-4H,1-2H2
InChIKeyUUPVJTPDMCMFFR-UHFFFAOYSA-N
MW490.13 g/mol
LogP5.48
Rot. Bonds10

About bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate

bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate (PubChem CID 14090569) has the molecular formula C11H6F16O3 and a molecular weight of 490.13 g/mol. Its IUPAC name is bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate.

Molecular Properties

Compound Namebis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate
PubChem CID14090569
Molecular FormulaC11H6F16O3
Molecular Weight490.13 g/mol
Exact Mass490.01
IUPAC Namebis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate
SMILESO=C(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/C11H6F16O3/c12-3(13)8(20,21)10(24,25)6(16,17)1-29-5(28)30-2-7(18,19)11(26,27)9(22,23)4(14)15/h3-4H,1-2H2
InChIKeyUUPVJTPDMCMFFR-UHFFFAOYSA-N
XLogP5.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.13
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2,3,3-tetrafluoropropyl) Carbonate
CID 11659296
Bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate
CID 11495583
2,2,3,3,4,4,4-Heptafluorobutyl methyl carbonate
CID 22104774
bis((Perfluorobutyl)ethyl) carbonate
CID 87147097
1,1,2,2,3,3,4,4-Octafluoro-5-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}pentane
CID 618624
2,2,3,3,4,4,5,5-Octafluoropentyl ethyl carbonate
CID 14533042
Bis-(tetrafluoropropyl)-carbonate
CID 87308878
Bis(octafluoroamyl) carbonate
CID 176490264
Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) carbonate
CID 258085
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
2,2,3,4,4,4-Hexafluorobutyl methyl carbonate
CID 13500162

Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate?
The IUPAC name of bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate (CID 14090569) is bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate.
What is the SMILES notation for bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate?
The canonical SMILES for bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate is O=C(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 bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate?
The InChIKey is UUPVJTPDMCMFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F16O3/c12-3(13)8(20,21)10(24,25)6(16,17)1-29-5(28)30-2-7(18,19)11(26,27)9(22,23)4(14)15/h3-4H,1-2H2.
What are the key properties of bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate?
bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate has a molecular weight of 490.13 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3,4,4,5,5-octafluoropentyl) carbonate is sourced from PubChem (CID 14090569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).