1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene

C5HF9 — CID 54420071

IUPAC1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene
SMILESFC(F)=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF9/c6-2(7)1-3(8,4(9,10)11)5(12,13)14/h1H
InChIKeyUDLSJLBLIOSNHV-UHFFFAOYSA-N
MW232.04 g/mol
LogP3.60
Rot. Bonds1

About 1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene

1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene (PubChem CID 54420071) has the molecular formula C5HF9 and a molecular weight of 232.04 g/mol. Its IUPAC name is 1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene
PubChem CID54420071
Molecular FormulaC5HF9
Molecular Weight232.04 g/mol
Exact Mass231.99
IUPAC Name1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene
SMILESFC(F)=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF9/c6-2(7)1-3(8,4(9,10)11)5(12,13)14/h1H
InChIKeyUDLSJLBLIOSNHV-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,4,4,4-Pentafluorobut-1-ene
CID 78990
3,3,4,4,5,5,5-Heptafluoropent-1-ene
CID 67727
3,4,4,4-Tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 2777831
4,4,5,5,6,6,7,7,7-Nonafluorohepta-1,2-diene
CID 14816571
(1Z)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 23233249
(1E)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 23233250
1,1,3,3,4,4,4-Heptafluoro-1-butene
CID 21096859
1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 74023403
3,3,4,4-Tetrafluoro-1-butene
CID 555149
4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butene
CID 2782629
1,2,4,4,4-Pentafluoro-3,3-bis(trifluoromethyl)-2-butene
CID 5378161
1,3,3,4,4-Pentafluorocyclobutene
CID 554177

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene?
The IUPAC name of 1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene (CID 54420071) is 1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene?
The canonical SMILES for 1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene is FC(F)=CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene?
The InChIKey is UDLSJLBLIOSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9/c6-2(7)1-3(8,4(9,10)11)5(12,13)14/h1H.
What are the key properties of 1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene?
1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene has a molecular weight of 232.04 g/mol, XLogP of 3.60, 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-3-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 54420071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).