(7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene

C10H4F10 — CID 5372831

IUPAC(7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene
SMILESF/C=C1\C(C(F)(F)F)C2(F)C=CC1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H4F10/c11-3-4-5(8(14,15)16)7(13)2-1-6(4,12)9(17,18)10(7,19)20/h1-3,5H/b4-3+
InChIKeyJVIPQSDWMOXPNS-ONEGZZNKSA-N
MW314.12 g/mol
LogP4.29
Rot. Bonds

About (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene

(7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene (PubChem CID 5372831) has the molecular formula C10H4F10 and a molecular weight of 314.12 g/mol. Its IUPAC name is (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name(7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene
PubChem CID5372831
Molecular FormulaC10H4F10
Molecular Weight314.12 g/mol
Exact Mass314.02
IUPAC Name(7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene
SMILESF/C=C1\C(C(F)(F)F)C2(F)C=CC1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H4F10/c11-3-4-5(8(14,15)16)7(13)2-1-6(4,12)9(17,18)10(7,19)20/h1-3,5H/b4-3+
InChIKeyJVIPQSDWMOXPNS-ONEGZZNKSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene?
The IUPAC name of (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene (CID 5372831) is (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene?
The canonical SMILES for (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene is F/C=C1\C(C(F)(F)F)C2(F)C=CC1(F)C(F)(F)C2(F)F.
What is the InChIKey of (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene?
The InChIKey is JVIPQSDWMOXPNS-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H4F10/c11-3-4-5(8(14,15)16)7(13)2-1-6(4,12)9(17,18)10(7,19)20/h1-3,5H/b4-3+.
What are the key properties of (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene?
(7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene has a molecular weight of 314.12 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1,4,5,5,6,6-hexafluoro-7-(fluoromethylidene)-8-(trifluoromethyl)bicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 5372831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).