1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene

C5H4F6 — CID 19781226

IUPAC1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene
SMILESCC(=C(F)F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F6/c1-2(4(7)8)3(6)5(9,10)11/h3H,1H3
InChIKeyCRSFHBQXHSWNCC-UHFFFAOYSA-N
MW178.07 g/mol
LogP3.06
Rot. Bonds1

About 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene

1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene (PubChem CID 19781226) has the molecular formula C5H4F6 and a molecular weight of 178.07 g/mol. Its IUPAC name is 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene
PubChem CID19781226
Molecular FormulaC5H4F6
Molecular Weight178.07 g/mol
Exact Mass178.02
IUPAC Name1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene
SMILESCC(=C(F)F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F6/c1-2(4(7)8)3(6)5(9,10)11/h3H,1H3
InChIKeyCRSFHBQXHSWNCC-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-Difluoro-2-(trifluoromethyl)but-1-ene
CID 13115975
1,1,4,4,4-Pentafluoro-2-(trifluoromethyl)but-1-ene
CID 45933683
2,3-Bis(trifluoromethyl)-1,3-butadiene
CID 85966595
1-Butene, 1,1-difluoro-2-methyl-
CID 10975428
4,4,4-Trifluoro-2-methylbut-1-ene
CID 14985016
2-(Trifluoromethyl)but-1-ene
CID 20793150
1,1,3,3-Tetrafluoro-2-methyl-1-propene
CID 23233337
1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene
CID 23235218
1,1,4,4,5,5,5-Heptafluoro-2-methylpent-1-ene
CID 23266238
3,3,4,4,4-Pentafluoro-2-(trifluoromethyl)-1-butene
CID 10899977
1,1,4,4-Tetrafluoro-2-methylbuta-1,3-diene
CID 13759155
1,1,1,2-Tetrafluoro-3-methylbut-2-ene
CID 13862021

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene?
The IUPAC name of 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene (CID 19781226) is 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene.
What is the SMILES notation for 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene?
The canonical SMILES for 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene is CC(=C(F)F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene?
The InChIKey is CRSFHBQXHSWNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6/c1-2(4(7)8)3(6)5(9,10)11/h3H,1H3.
What are the key properties of 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene?
1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene has a molecular weight of 178.07 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,4-hexafluoro-2-methylbut-1-ene is sourced from PubChem (CID 19781226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).