(7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine

C8H4F10O2 — CID 20802258

IUPAC(7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine
SMILESF/C1=C/C(C(F)(F)F)OC(F)(F)C(F)(F)COC1(F)F
InChIInChI=1S/C8H4F10O2/c9-3-1-4(6(12,13)14)20-8(17,18)5(10,11)2-19-7(3,15)16/h1,4H,2H2/b3-1+
InChIKeyHAPOBAKSSSMMLS-HNQUOIGGSA-N
MW322.10 g/mol
LogP3.64
Rot. Bonds

About (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine

(7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine (PubChem CID 20802258) has the molecular formula C8H4F10O2 and a molecular weight of 322.10 g/mol. Its IUPAC name is (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine.

Molecular Properties

Compound Name(7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine
PubChem CID20802258
Molecular FormulaC8H4F10O2
Molecular Weight322.10 g/mol
Exact Mass322.01
IUPAC Name(7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine
SMILESF/C1=C/C(C(F)(F)F)OC(F)(F)C(F)(F)COC1(F)F
InChIInChI=1S/C8H4F10O2/c9-3-1-4(6(12,13)14)20-8(17,18)5(10,11)2-19-7(3,15)16/h1,4H,2H2/b3-1+
InChIKeyHAPOBAKSSSMMLS-HNQUOIGGSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 53.64
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

1,1,5,5,5-Pentafluoro-4-(1,1,1,5,5-pentafluoropent-3-en-2-yloxy)pent-2-ene
CID 141435543
1,1,1,5,5,5-Hexafluoro-4-(1,1,1,5,5,5-hexafluoropent-3-en-2-yloxy)pent-2-ene
CID 141454665
fluoromethane;(7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine
CID 157745645
4,5,6,6,7,7,7-Heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene
CID 173314457
1,1,1,2-Tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-ene
CID 175824425

Frequently Asked Questions

What is the IUPAC name of (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine?
The IUPAC name of (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine (CID 20802258) is (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine.
What is the SMILES notation for (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine?
The canonical SMILES for (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine is F/C1=C/C(C(F)(F)F)OC(F)(F)C(F)(F)COC1(F)F.
What is the InChIKey of (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine?
The InChIKey is HAPOBAKSSSMMLS-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H4F10O2/c9-3-1-4(6(12,13)14)20-8(17,18)5(10,11)2-19-7(3,15)16/h1,4H,2H2/b3-1+.
What are the key properties of (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine?
(7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine has a molecular weight of 322.10 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-3,3,4,4,8,9,9-heptafluoro-6-(trifluoromethyl)-2,6-dihydro-1,5-dioxonine is sourced from PubChem (CID 20802258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).