1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene

C11H13F7O — CID 158958315

IUPAC1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene
SMILESCCCCCCOC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H13F7O/c1-2-3-4-5-6-19-8-7(12)9(13,14)11(17,18)10(8,15)16/h2-6H2,1H3
InChIKeyJMHHOIISWMBAEA-UHFFFAOYSA-N
MW294.21 g/mol
LogP4.68
Rot. Bonds6

About 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene

1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene (PubChem CID 158958315) has the molecular formula C11H13F7O and a molecular weight of 294.21 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene
PubChem CID158958315
Molecular FormulaC11H13F7O
Molecular Weight294.21 g/mol
Exact Mass294.09
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene
SMILESCCCCCCOC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H13F7O/c1-2-3-4-5-6-19-8-7(12)9(13,14)11(17,18)10(8,15)16/h2-6H2,1H3
InChIKeyJMHHOIISWMBAEA-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Cyclohexene, 1-(2,2,2-trifluoroethoxy)nonafluoro-
CID 75376
1-Ethoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohex-1-ene
CID 75258
1,3,3,4,4,5,5-Heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene
CID 10849342
1-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
1-Ethoxy-2,3,3,4,4,5,5-heptafluorocyclopent-1-ene
CID 17906083
4-Ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran
CID 89041411
1-Ethoxy-4,4-difluorocyclohexene
CID 90862971
(Z)-4-ethoxy-3,5-difluorooct-3-ene
CID 134449662
1-Ethoxy-3,3,4,4,5,5-hexafluorocyclopentene
CID 140227295
2,3-Bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 141403805
(Z)-4,4,5,5,6,6-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
CID 142659699
(Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
CID 142659701

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene (CID 158958315) is 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene is CCCCCCOC1=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene?
The InChIKey is JMHHOIISWMBAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F7O/c1-2-3-4-5-6-19-8-7(12)9(13,14)11(17,18)10(8,15)16/h2-6H2,1H3.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene has a molecular weight of 294.21 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-hexoxycyclopentene is sourced from PubChem (CID 158958315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).