3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene

C9H2F14O — CID 167433155

IUPAC3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
SMILESFC(F)(F)COC1=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H2F14O/c10-4(11,12)1-24-3-2(6(15,16)9(21,22)23)5(13,14)8(19,20)7(3,17)18/h1H2
InChIKeyDTQGWJMYKJOISL-UHFFFAOYSA-N
MW392.09 g/mol
LogP4.94
Rot. Bonds3

About 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene

3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene (PubChem CID 167433155) has the molecular formula C9H2F14O and a molecular weight of 392.09 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
PubChem CID167433155
Molecular FormulaC9H2F14O
Molecular Weight392.09 g/mol
Exact Mass391.99
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
SMILESFC(F)(F)COC1=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H2F14O/c10-4(11,12)1-24-3-2(6(15,16)9(21,22)23)5(13,14)8(19,20)7(3,17)18/h1H2
InChIKeyDTQGWJMYKJOISL-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexene, 1-(2,2,2-trifluoroethoxy)nonafluoro-
CID 75376
1-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
1,3,3,4,4,5,5-Heptafluoro-2-(2,2,3,3-tetrafluoropropoxy)cyclopentene
CID 155670508
3,3,4,4,5,5-Hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
CID 167433157
1-Ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
CID 167433160
1,1,1,4,4,5,5,5-Octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene
CID 15210906
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyheptane
CID 15210907
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane
CID 15210908
3,3,4,4,5,5,6,6-Octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene
CID 15579289

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene (CID 167433155) is 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene is FC(F)(F)COC1=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene?
The InChIKey is DTQGWJMYKJOISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F14O/c10-4(11,12)1-24-3-2(6(15,16)9(21,22)23)5(13,14)8(19,20)7(3,17)18/h1H2.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene?
3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene has a molecular weight of 392.09 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene is sourced from PubChem (CID 167433155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).