(E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene

C11H4F18 — CID 14091757

IUPAC(E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene
SMILESFC(F)(F)C(/C=C/CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H4F18/c12-6(13,14)4(7(15,16)17,8(18,19)20)2-1-3-5(9(21,22)23,10(24,25)26)11(27,28)29/h1-2H,3H2/b2-1+
InChIKeyIPQZAODLYSLZQM-OWOJBTEDSA-N
MW478.12 g/mol
LogP7.28
Rot. Bonds3

About (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene

(E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene (PubChem CID 14091757) has the molecular formula C11H4F18 and a molecular weight of 478.12 g/mol. Its IUPAC name is (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene.

Molecular Properties

Compound Name(E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene
PubChem CID14091757
Molecular FormulaC11H4F18
Molecular Weight478.12 g/mol
Exact Mass478.00
IUPAC Name(E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene
SMILESFC(F)(F)C(/C=C/CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H4F18/c12-6(13,14)4(7(15,16)17,8(18,19)20)2-1-3-5(9(21,22)23,10(24,25)26)11(27,28)29/h1-2H,3H2/b2-1+
InChIKeyIPQZAODLYSLZQM-OWOJBTEDSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.12
LogP ≤ 57.28
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 (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene?
The IUPAC name of (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene (CID 14091757) is (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene.
What is the SMILES notation for (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene?
The canonical SMILES for (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene is FC(F)(F)C(/C=C/CC(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 (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene?
The InChIKey is IPQZAODLYSLZQM-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H4F18/c12-6(13,14)4(7(15,16)17,8(18,19)20)2-1-3-5(9(21,22)23,10(24,25)26)11(27,28)29/h1-2H,3H2/b2-1+.
What are the key properties of (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene?
(E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene has a molecular weight of 478.12 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene is sourced from PubChem (CID 14091757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).