1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene

C5H4F6 — CID 13144951

IUPAC1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene
SMILESCC(=CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6/c1-3(5(9,10)11)2-4(6,7)8/h2H,1H3
InChIKeyOBHAZHXFTQWCKY-UHFFFAOYSA-N
MW178.08 g/mol
LogP3.06
Rot. Bonds

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

1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene (PubChem CID 13144951) has the molecular formula C5H4F6 and a molecular weight of 178.08 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene
PubChem CID13144951
Molecular FormulaC5H4F6
Molecular Weight178.08 g/mol
Exact Mass178.02
IUPAC Name1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene
SMILESCC(=CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6/c1-3(5(9,10)11)2-4(6,7)8/h2H,1H3
InChIKeyOBHAZHXFTQWCKY-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(Trifluoromethyl)propene
CID 136214
3H-Perfluoro-2-butene
CID 11053485
(2Z)-1,1,1,3-Tetrafluoro-2-butene
CID 20632078
E-2,4,4,4-Tetrafluoro-2-butene
CID 44717370
3,4,4,4-Tetrafluoro-2-butene
CID 54079952
1,1,1-Trifluoro-4-methylpenta-2,3-diene
CID 57083559
(Z)-1,1,1,2-tetrafluorobut-2-ene
CID 12571353
(2E)-1,1,1,2-Tetrafluorobut-2-ene
CID 23236241
(E)-1,3,3,3-tetrafluoro-2-methylprop-1-ene
CID 23236243
2-Methylprop-1-ene;1,1,2,2-tetrafluoroethene
CID 21419423
(E)-1,1,1-trifluoro-2-methylbut-2-ene
CID 12578248
1,1,1-Trifluoro-3-methyl-2-butene
CID 12769989

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene (CID 13144951) is 1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene is CC(=CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene?
The InChIKey is OBHAZHXFTQWCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6/c1-3(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-methylbut-2-ene?
1,1,1,4,4,4-hexafluoro-2-methylbut-2-ene has a molecular weight of 178.08 g/mol, XLogP of 3.06, 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-methylbut-2-ene is sourced from PubChem (CID 13144951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).