3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene

C11H2F18O2 — CID 155670536

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC(F)(F)C(OC1=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11H2F18O2/c12-5(13)1(30-3(7(16,17)18)8(19,20)21)2(6(14,15)11(5,28)29)31-4(9(22,23)24)10(25,26)27/h3-4H
InChIKeyYAOXWOHOXNCIHF-UHFFFAOYSA-N
MW508.10 g/mol
LogP6.14
Rot. Bonds4

About 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene

3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (PubChem CID 155670536) has the molecular formula C11H2F18O2 and a molecular weight of 508.10 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
PubChem CID155670536
Molecular FormulaC11H2F18O2
Molecular Weight508.10 g/mol
Exact Mass507.98
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC(F)(F)C(OC1=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11H2F18O2/c12-5(13)1(30-3(7(16,17)18)8(19,20)21)2(6(14,15)11(5,28)29)31-4(9(22,23)24)10(25,26)27/h3-4H
InChIKeyYAOXWOHOXNCIHF-UHFFFAOYSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.10
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (CID 155670536) is 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is FC(F)(F)C(OC1=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The InChIKey is YAOXWOHOXNCIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2F18O2/c12-5(13)1(30-3(7(16,17)18)8(19,20)21)2(6(14,15)11(5,28)29)31-4(9(22,23)24)10(25,26)27/h3-4H.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene has a molecular weight of 508.10 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is sourced from PubChem (CID 155670536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).