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

C4H2F6 — CID 21096853

IUPAC1,1,2,4,4,4-hexafluorobut-1-ene
SMILESFC(F)=C(F)CC(F)(F)F
InChIInChI=1S/C4H2F6/c5-2(3(6)7)1-4(8,9)10/h1H2
InChIKeyIJHQXAWUJVYBOQ-UHFFFAOYSA-N
MW164.05 g/mol
LogP3.02
Rot. Bonds1

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

1,1,2,4,4,4-hexafluorobut-1-ene (PubChem CID 21096853) has the molecular formula C4H2F6 and a molecular weight of 164.05 g/mol. Its IUPAC name is 1,1,2,4,4,4-hexafluorobut-1-ene.

Molecular Properties

Compound Name1,1,2,4,4,4-hexafluorobut-1-ene
PubChem CID21096853
Molecular FormulaC4H2F6
Molecular Weight164.05 g/mol
Exact Mass164.01
IUPAC Name1,1,2,4,4,4-hexafluorobut-1-ene
SMILESFC(F)=C(F)CC(F)(F)F
InChIInChI=1S/C4H2F6/c5-2(3(6)7)1-4(8,9)10/h1H2
InChIKeyIJHQXAWUJVYBOQ-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,3,4,4,5,5-Heptafluoro-1-pentene
CID 13750142
1,1,2,3,3,4,4,4-Octafluorobut-1-ene
CID 67745
1,1,3,4,4,5,5,5-Octafluoro-1,2-pentadiene
CID 13513475
1,1,3,3,4,4,4-Heptafluoro-1-butene
CID 21096859
4H-Perfluoro-1-butene
CID 2774880
6H-Perfluorohex-1-ene
CID 2776155
1,1,4,4,4-Pentafluoro-2-(trifluoromethyl)but-1-ene
CID 45933683
Pentafluoro-2-cyclobutene
CID 544430
(E)-1,2,3,3,4,4,4-heptafluorobut-1-ene
CID 12543098
Octafluoro-1,4-pentadiene
CID 13223781
Tetrafluorocyclobutene
CID 17898666
Hexafluorobutene
CID 22011466

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4,4-hexafluorobut-1-ene?
The IUPAC name of 1,1,2,4,4,4-hexafluorobut-1-ene (CID 21096853) is 1,1,2,4,4,4-hexafluorobut-1-ene.
What is the SMILES notation for 1,1,2,4,4,4-hexafluorobut-1-ene?
The canonical SMILES for 1,1,2,4,4,4-hexafluorobut-1-ene is FC(F)=C(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,4,4,4-hexafluorobut-1-ene?
The InChIKey is IJHQXAWUJVYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6/c5-2(3(6)7)1-4(8,9)10/h1H2.
What are the key properties of 1,1,2,4,4,4-hexafluorobut-1-ene?
1,1,2,4,4,4-hexafluorobut-1-ene has a molecular weight of 164.05 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4,4-hexafluorobut-1-ene is sourced from PubChem (CID 21096853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).