1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene

C5H4F6O — CID 71356319

IUPAC1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene
SMILESCOC(=CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O/c1-12-3(5(9,10)11)2-4(6,7)8/h2H,1H3
InChIKeyXTOUBDXCNFGZBJ-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.64
Rot. Bonds1

About 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene

1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene (PubChem CID 71356319) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene
PubChem CID71356319
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene
SMILESCOC(=CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O/c1-12-3(5(9,10)11)2-4(6,7)8/h2H,1H3
InChIKeyXTOUBDXCNFGZBJ-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene (CID 71356319) is 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene is COC(=CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene?
The InChIKey is XTOUBDXCNFGZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c1-12-3(5(9,10)11)2-4(6,7)8/h2H,1H3.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene?
1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene has a molecular weight of 194.07 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene is sourced from PubChem (CID 71356319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).