1,1,4,4,4-pentafluorobuta-1,2-diene

C4HF5 — CID 87447839

IUPAC1,1,4,4,4-pentafluorobuta-1,2-diene
SMILESFC(F)=C=CC(F)(F)F
InChIInChI=1S/C4HF5/c5-3(6)1-2-4(7,8)9/h2H
InChIKeyHYTKGOKJPJIFKE-UHFFFAOYSA-N
MW144.04 g/mol
LogP2.48
Rot. Bonds

About 1,1,4,4,4-pentafluorobuta-1,2-diene

1,1,4,4,4-pentafluorobuta-1,2-diene (PubChem CID 87447839) has the molecular formula C4HF5 and a molecular weight of 144.04 g/mol. Its IUPAC name is 1,1,4,4,4-pentafluorobuta-1,2-diene.

Molecular Properties

Compound Name1,1,4,4,4-pentafluorobuta-1,2-diene
PubChem CID87447839
Molecular FormulaC4HF5
Molecular Weight144.04 g/mol
Exact Mass144.00
IUPAC Name1,1,4,4,4-pentafluorobuta-1,2-diene
SMILESFC(F)=C=CC(F)(F)F
InChIInChI=1S/C4HF5/c5-3(6)1-2-4(7,8)9/h2H
InChIKeyHYTKGOKJPJIFKE-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,3,3,3-Pentafluoropropene
CID 69647
2,3,3,3-Tetrafluoropropene
CID 2776731
Trans-1,3,3,3-tetrafluoropropene
CID 5708720
(2E)-1,1,1,4,4,4-Hexafluoro-2-butene
CID 5708528
cis-1,1,1,4,4,4-Hexafluoro-2-butene
CID 52991879
1,3,3,3-Tetrafluoropropene
CID 2776729
1,2,3,3,3-Pentafluoropropene
CID 111077
1,3,3,3-Tetrafluoropropene, (1Z)-
CID 11116025
1,1-Difluoroethene with 1,1,2,3,3,3-hexafluoro-1-propene (1:1)
CID 16212781
1,1,1,4,4,4-Hexafluoro-2-butene
CID 2774975
(E)-1,2,3,3,3-Pentafluoroprop-1-ene
CID 6329539
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene
CID 168318

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4,4-pentafluorobuta-1,2-diene?
The IUPAC name of 1,1,4,4,4-pentafluorobuta-1,2-diene (CID 87447839) is 1,1,4,4,4-pentafluorobuta-1,2-diene.
What is the SMILES notation for 1,1,4,4,4-pentafluorobuta-1,2-diene?
The canonical SMILES for 1,1,4,4,4-pentafluorobuta-1,2-diene is FC(F)=C=CC(F)(F)F.
What is the InChIKey of 1,1,4,4,4-pentafluorobuta-1,2-diene?
The InChIKey is HYTKGOKJPJIFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5/c5-3(6)1-2-4(7,8)9/h2H.
What are the key properties of 1,1,4,4,4-pentafluorobuta-1,2-diene?
1,1,4,4,4-pentafluorobuta-1,2-diene has a molecular weight of 144.04 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4,4-pentafluorobuta-1,2-diene is sourced from PubChem (CID 87447839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).