1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene

C12H6F18 — CID 54447322

IUPAC1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene
SMILESFC(F)(F)C(CC=CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H6F18/c13-7(14,15)5(8(16,17)18,9(19,20)21)3-1-2-4-6(10(22,23)24,11(25,26)27)12(28,29)30/h1-2H,3-4H2
InChIKeyWSLFBOVLQBICKX-UHFFFAOYSA-N
MW492.14 g/mol
LogP7.67
Rot. Bonds4

About 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene

1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene (PubChem CID 54447322) has the molecular formula C12H6F18 and a molecular weight of 492.14 g/mol. Its IUPAC name is 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene.

Molecular Properties

Compound Name1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene
PubChem CID54447322
Molecular FormulaC12H6F18
Molecular Weight492.14 g/mol
Exact Mass492.02
IUPAC Name1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene
SMILESFC(F)(F)C(CC=CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H6F18/c13-7(14,15)5(8(16,17)18,9(19,20)21)3-1-2-4-6(10(22,23)24,11(25,26)27)12(28,29)30/h1-2H,3-4H2
InChIKeyWSLFBOVLQBICKX-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.14
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene?
The IUPAC name of 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene (CID 54447322) is 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene.
What is the SMILES notation for 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene?
The canonical SMILES for 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene is FC(F)(F)C(CC=CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene?
The InChIKey is WSLFBOVLQBICKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F18/c13-7(14,15)5(8(16,17)18,9(19,20)21)3-1-2-4-6(10(22,23)24,11(25,26)27)12(28,29)30/h1-2H,3-4H2.
What are the key properties of 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene?
1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene has a molecular weight of 492.14 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,8,8,8-hexafluoro-2,2,7,7-tetrakis(trifluoromethyl)oct-4-ene is sourced from PubChem (CID 54447322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).