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

C11H6F14O2 — CID 155670595

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene
SMILESFC(F)C(F)(F)COC1=C(OCC(F)(F)C(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H6F14O2/c12-5(13)7(16,17)1-26-3-4(27-2-8(18,19)6(14)15)10(22,23)11(24,25)9(3,20)21/h5-6H,1-2H2
InChIKeyWMUUFJBKLBEIKH-UHFFFAOYSA-N
MW436.14 g/mol
LogP4.95
Rot. Bonds8

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

3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene (PubChem CID 155670595) has the molecular formula C11H6F14O2 and a molecular weight of 436.14 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene
PubChem CID155670595
Molecular FormulaC11H6F14O2
Molecular Weight436.14 g/mol
Exact Mass436.01
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene
SMILESFC(F)C(F)(F)COC1=C(OCC(F)(F)C(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H6F14O2/c12-5(13)7(16,17)1-26-3-4(27-2-8(18,19)6(14)15)10(22,23)11(24,25)9(3,20)21/h5-6H,1-2H2
InChIKeyWMUUFJBKLBEIKH-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.14
LogP ≤ 54.95
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-Ethoxy-2,3,3,4,4,5,5-heptafluorocyclopent-1-ene
CID 17906083
3,3,4,4,5,5-Hexafluoro-1,2-dimethoxycyclopent-1-ene
CID 21438116
(E)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,8-pentadecafluoro-4-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 89614750
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(prop-2-ynoxy)cyclopentene
CID 122554566
3,3,4,4,5,5-Hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene
CID 122554585
1,3,3,4,4,5,5-Heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene
CID 134238175
1,3,3,4,4,5,5-Heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene
CID 134238176
5,5,6,6,7,7-Hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine
CID 146613895
1-Ethoxy-3,3,4,4,5,5-hexafluorocyclopentene;yttrium
CID 147732617
3,3,4,4,5,5,6,6-Octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene
CID 155670464
1,3,3,4,4,5,5-Heptafluoro-2-(2,2,3,3-tetrafluoropropoxy)cyclopentene
CID 155670508

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene (CID 155670595) is 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene is FC(F)C(F)(F)COC1=C(OCC(F)(F)C(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-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene?
The InChIKey is WMUUFJBKLBEIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F14O2/c12-5(13)7(16,17)1-26-3-4(27-2-8(18,19)6(14)15)10(22,23)11(24,25)9(3,20)21/h5-6H,1-2H2.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene has a molecular weight of 436.14 g/mol, XLogP of 4.95, 8 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(2,2,3,3-tetrafluoropropoxy)cyclopentene is sourced from PubChem (CID 155670595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).