3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene

C12H6F12O2 — CID 10386828

IUPAC3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene
SMILESCOC1=C(C2=C(OC)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H6F12O2/c1-25-5-3(7(13,14)11(21,22)9(5,17)18)4-6(26-2)10(19,20)12(23,24)8(4,15)16/h1-2H3
InChIKeyGQXJEHSBIUNCNE-UHFFFAOYSA-N
MW410.15 g/mol
LogP4.63
Rot. Bonds3

About 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene

3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene (PubChem CID 10386828) has the molecular formula C12H6F12O2 and a molecular weight of 410.15 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene
PubChem CID10386828
Molecular FormulaC12H6F12O2
Molecular Weight410.15 g/mol
Exact Mass410.02
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene
SMILESCOC1=C(C2=C(OC)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H6F12O2/c1-25-5-3(7(13,14)11(21,22)9(5,17)18)4-6(26-2)10(19,20)12(23,24)8(4,15)16/h1-2H3
InChIKeyGQXJEHSBIUNCNE-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.15
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,3,4,4,5,5-Heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene
CID 10000896
3,3,4,4-Tetrafluoro-1-methoxy-2-(3,3,4,4-tetrafluoro-2-methoxycyclobuten-1-yl)cyclobutene
CID 10018238

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene (CID 10386828) is 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene is COC1=C(C2=C(OC)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene?
The InChIKey is GQXJEHSBIUNCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F12O2/c1-25-5-3(7(13,14)11(21,22)9(5,17)18)4-6(26-2)10(19,20)12(23,24)8(4,15)16/h1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene?
3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene has a molecular weight of 410.15 g/mol, XLogP of 4.63, 3 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-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)-2-methoxycyclopentene is sourced from PubChem (CID 10386828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).