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

C14H10F12O4 — CID 176591311

IUPAC3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene
SMILESCOC1=C(OCCOC2=C(OC)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H10F12O4/c1-27-5-7(11(19,20)13(23,24)9(5,15)16)29-3-4-30-8-6(28-2)10(17,18)14(25,26)12(8,21)22/h3-4H2,1-2H3
InChIKeyJQUUKXSFCQMLGO-UHFFFAOYSA-N
MW470.21 g/mol
LogP4.57
Rot. Bonds7

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

3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene (PubChem CID 176591311) has the molecular formula C14H10F12O4 and a molecular weight of 470.21 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene
PubChem CID176591311
Molecular FormulaC14H10F12O4
Molecular Weight470.21 g/mol
Exact Mass470.04
IUPAC Name3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene
SMILESCOC1=C(OCCOC2=C(OC)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H10F12O4/c1-27-5-7(11(19,20)13(23,24)9(5,15)16)29-3-4-30-8-6(28-2)10(17,18)14(25,26)12(8,21)22/h3-4H2,1-2H3
InChIKeyJQUUKXSFCQMLGO-UHFFFAOYSA-N
XLogP4.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.21
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis-(2,3,3,4,4,5,5-heptafluorocyclopent-1-enyloxy)ethane
CID 121234684
3,3,4,4,5,5-Hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene
CID 155670532
3,3,4,4,5,5-Hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene
CID 155670595
10,10,11,11,12,12,22,22,23,23,24,24-Dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene
CID 163615326
1,3,3,4,4,5,5-Heptafluoro-2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]cyclopentene
CID 176591314
1,3,3,4,4,5,5-Heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene
CID 176591315
1,3,3,4,4,5,5-Heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene
CID 176591327
2-[3,3,4,4,5,5-Hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol
CID 176591330
1,3,3,4,4,5,5-Heptafluoro-2-[2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]cyclopentene
CID 176591332
1-Butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene
CID 176591337
1,3,3,4,4,5,5-Heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene
CID 176591347

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene (CID 176591311) is 3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene is COC1=C(OCCOC2=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-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene?
The InChIKey is JQUUKXSFCQMLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F12O4/c1-27-5-7(11(19,20)13(23,24)9(5,15)16)29-3-4-30-8-6(28-2)10(17,18)14(25,26)12(8,21)22/h3-4H2,1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene?
3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene has a molecular weight of 470.21 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene is sourced from PubChem (CID 176591311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).