1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene

C5HF9 — CID 11053485

IUPAC1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene
SMILESFC(F)(F)C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF9/c6-3(7,8)1-2(4(9,10)11)5(12,13)14/h1H
InChIKeyZBKIRWGFFLBFDX-UHFFFAOYSA-N
MW232.04 g/mol
LogP3.60
Rot. Bonds

About 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene

1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene (PubChem CID 11053485) has the molecular formula C5HF9 and a molecular weight of 232.04 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene
PubChem CID11053485
Molecular FormulaC5HF9
Molecular Weight232.04 g/mol
Exact Mass231.99
IUPAC Name1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene
SMILESFC(F)(F)C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF9/c6-3(7,8)1-2(4(9,10)11)5(12,13)14/h1H
InChIKeyZBKIRWGFFLBFDX-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 53.60
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 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene (CID 11053485) is 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene is FC(F)(F)C=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene?
The InChIKey is ZBKIRWGFFLBFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9/c6-3(7,8)1-2(4(9,10)11)5(12,13)14/h1H.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene?
1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene has a molecular weight of 232.04 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)but-2-ene is sourced from PubChem (CID 11053485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).