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

C5H4F6 — CID 19781239

IUPAC1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene
SMILESCC(=C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C5H4F6/c1-2(3(6)7)5(10,11)4(8)9/h4H,1H3
InChIKeyVIPLTZSSUZXGLT-UHFFFAOYSA-N
MW178.08 g/mol
LogP3.06
Rot. Bonds2

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

1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene (PubChem CID 19781239) has the molecular formula C5H4F6 and a molecular weight of 178.08 g/mol. Its IUPAC name is 1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene
PubChem CID19781239
Molecular FormulaC5H4F6
Molecular Weight178.08 g/mol
Exact Mass178.02
IUPAC Name1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene
SMILESCC(=C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C5H4F6/c1-2(3(6)7)5(10,11)4(8)9/h4H,1H3
InChIKeyVIPLTZSSUZXGLT-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene?
The IUPAC name of 1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene (CID 19781239) is 1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene.
What is the SMILES notation for 1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene?
The canonical SMILES for 1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene is CC(=C(F)F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene?
The InChIKey is VIPLTZSSUZXGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6/c1-2(3(6)7)5(10,11)4(8)9/h4H,1H3.
What are the key properties of 1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene?
1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene has a molecular weight of 178.08 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4,4-hexafluoro-2-methylbut-1-ene is sourced from PubChem (CID 19781239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).