(E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene

C6H6F6 — CID 12578250

IUPAC(E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene
SMILESC/C(=C\CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6/c1-4(6(10,11)12)2-3-5(7,8)9/h2H,3H2,1H3/b4-2+
InChIKeyVIZQGAVKJWMVDX-DUXPYHPUSA-N
MW192.10 g/mol
LogP3.45
Rot. Bonds1

About (E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene

(E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene (PubChem CID 12578250) has the molecular formula C6H6F6 and a molecular weight of 192.10 g/mol. Its IUPAC name is (E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene
PubChem CID12578250
Molecular FormulaC6H6F6
Molecular Weight192.10 g/mol
Exact Mass192.04
IUPAC Name(E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene
SMILESC/C(=C\CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6/c1-4(6(10,11)12)2-3-5(7,8)9/h2H,3H2,1H3/b4-2+
InChIKeyVIZQGAVKJWMVDX-DUXPYHPUSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 53.45
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)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene?
The IUPAC name of (E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene (CID 12578250) is (E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene.
What is the SMILES notation for (E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene?
The canonical SMILES for (E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene is C/C(=C\CC(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene?
The InChIKey is VIZQGAVKJWMVDX-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H6F6/c1-4(6(10,11)12)2-3-5(7,8)9/h2H,3H2,1H3/b4-2+.
What are the key properties of (E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene?
(E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene has a molecular weight of 192.10 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene is sourced from PubChem (CID 12578250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).