1,1,1,4,4,4-hexafluorobut-2-ene

C4H2F6 — CID 2774975

IUPAC1,1,1,4,4,4-hexafluorobut-2-ene
SMILESFC(F)(F)C=CC(F)(F)F
InChIInChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H
InChIKeyNLOLSXYRJFEOTA-UHFFFAOYSA-N
MW164.05 g/mol
LogP2.67
Rot. Bonds

About 1,1,1,4,4,4-hexafluorobut-2-ene

1,1,1,4,4,4-hexafluorobut-2-ene (PubChem CID 2774975) has the molecular formula C4H2F6 and a molecular weight of 164.05 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluorobut-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluorobut-2-ene
PubChem CID2774975
Molecular FormulaC4H2F6
Molecular Weight164.05 g/mol
Exact Mass164.01
IUPAC Name1,1,1,4,4,4-hexafluorobut-2-ene
SMILESFC(F)(F)C=CC(F)(F)F
InChIInChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H
InChIKeyNLOLSXYRJFEOTA-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 52.67
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 1,1,1,4,4,4-hexafluorobut-2-ene?
The IUPAC name of 1,1,1,4,4,4-hexafluorobut-2-ene (CID 2774975) is 1,1,1,4,4,4-hexafluorobut-2-ene.
What is the SMILES notation for 1,1,1,4,4,4-hexafluorobut-2-ene?
The canonical SMILES for 1,1,1,4,4,4-hexafluorobut-2-ene is FC(F)(F)C=CC(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluorobut-2-ene?
The InChIKey is NLOLSXYRJFEOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H.
What are the key properties of 1,1,1,4,4,4-hexafluorobut-2-ene?
1,1,1,4,4,4-hexafluorobut-2-ene has a molecular weight of 164.05 g/mol, XLogP of 2.67, 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-hexafluorobut-2-ene is sourced from PubChem (CID 2774975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).