1,1,3,4,4,4-hexafluorobuta-1,2-diene

C4F6 — CID 23235216

IUPAC1,1,3,4,4,4-hexafluorobuta-1,2-diene
SMILESFC(F)=C=C(F)C(F)(F)F
InChIInChI=1S/C4F6/c5-2(1-3(6)7)4(8,9)10
InChIKeyGAYKMYXILLFVRB-UHFFFAOYSA-N
MW162.03 g/mol
LogP2.78
Rot. Bonds

About 1,1,3,4,4,4-hexafluorobuta-1,2-diene

1,1,3,4,4,4-hexafluorobuta-1,2-diene (PubChem CID 23235216) has the molecular formula C4F6 and a molecular weight of 162.03 g/mol. Its IUPAC name is 1,1,3,4,4,4-hexafluorobuta-1,2-diene.

Molecular Properties

Compound Name1,1,3,4,4,4-hexafluorobuta-1,2-diene
PubChem CID23235216
Molecular FormulaC4F6
Molecular Weight162.03 g/mol
Exact Mass161.99
IUPAC Name1,1,3,4,4,4-hexafluorobuta-1,2-diene
SMILESFC(F)=C=C(F)C(F)(F)F
InChIInChI=1S/C4F6/c5-2(1-3(6)7)4(8,9)10
InChIKeyGAYKMYXILLFVRB-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,4-hexafluorobuta-1,2-diene?
The IUPAC name of 1,1,3,4,4,4-hexafluorobuta-1,2-diene (CID 23235216) is 1,1,3,4,4,4-hexafluorobuta-1,2-diene.
What is the SMILES notation for 1,1,3,4,4,4-hexafluorobuta-1,2-diene?
The canonical SMILES for 1,1,3,4,4,4-hexafluorobuta-1,2-diene is FC(F)=C=C(F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,4-hexafluorobuta-1,2-diene?
The InChIKey is GAYKMYXILLFVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6/c5-2(1-3(6)7)4(8,9)10.
What are the key properties of 1,1,3,4,4,4-hexafluorobuta-1,2-diene?
1,1,3,4,4,4-hexafluorobuta-1,2-diene has a molecular weight of 162.03 g/mol, XLogP of 2.78, 0 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-hexafluorobuta-1,2-diene is sourced from PubChem (CID 23235216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).