3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene

C11H7F13O3 — CID 155670544

IUPAC3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene
SMILESFC(F)(F)COC1=CC(F)(F)C(F)(F)C1(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C11H7F13O3/c12-6(13)1-5(25-2-7(14,15)16)10(11(6,23)24,26-3-8(17,18)19)27-4-9(20,21)22/h1H,2-4H2
InChIKeyFTMVTRNRHBNNCH-UHFFFAOYSA-N
MW434.15 g/mol
LogP4.59
Rot. Bonds6

About 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene

3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene (PubChem CID 155670544) has the molecular formula C11H7F13O3 and a molecular weight of 434.15 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene
PubChem CID155670544
Molecular FormulaC11H7F13O3
Molecular Weight434.15 g/mol
Exact Mass434.02
IUPAC Name3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene
SMILESFC(F)(F)COC1=CC(F)(F)C(F)(F)C1(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C11H7F13O3/c12-6(13)1-5(25-2-7(14,15)16)10(11(6,23)24,26-3-8(17,18)19)27-4-9(20,21)22/h1H,2-4H2
InChIKeyFTMVTRNRHBNNCH-UHFFFAOYSA-N
XLogP4.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene
CID 155670568
3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 167433155
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
1-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)benzene
CID 112614053
2-(bromomethyl)-1,3-difluoro-5-(2,2,2-trifluoroethoxy)benzene
CID 118975363
2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine
CID 61146447
ethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 170582114
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 146421536
1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol
CID 167932975
3,4-bis(2,2,2-trifluoroethoxy)cyclobut-3-ene-1,2-dione
CID 59805379
2-(2,2,2-trifluoroethoxy)quinazoline;hydrochloride
CID 141036711

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene?
The IUPAC name of 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene (CID 155670544) is 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene?
The canonical SMILES for 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene is FC(F)(F)COC1=CC(F)(F)C(F)(F)C1(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene?
The InChIKey is FTMVTRNRHBNNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F13O3/c12-6(13)1-5(25-2-7(14,15)16)10(11(6,23)24,26-3-8(17,18)19)27-4-9(20,21)22/h1H,2-4H2.
What are the key properties of 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene?
3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene has a molecular weight of 434.15 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene is sourced from PubChem (CID 155670544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).