3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene

C8H4F10O — CID 56625874

IUPAC3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene
SMILESC=C(OC(=C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F10O/c1-3(5(9,10)7(13,14)15)19-4(2)6(11,12)8(16,17)18/h1-2H2
InChIKeyHFJBBSHXNKCYPL-UHFFFAOYSA-N
MW306.10 g/mol
LogP4.43
Rot. Bonds4

About 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene

3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene (PubChem CID 56625874) has the molecular formula C8H4F10O and a molecular weight of 306.10 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene
PubChem CID56625874
Molecular FormulaC8H4F10O
Molecular Weight306.10 g/mol
Exact Mass306.01
IUPAC Name3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene
SMILESC=C(OC(=C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F10O/c1-3(5(9,10)7(13,14)15)19-4(2)6(11,12)8(16,17)18/h1-2H2
InChIKeyHFJBBSHXNKCYPL-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene?
The IUPAC name of 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene (CID 56625874) is 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene.
What is the SMILES notation for 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene?
The canonical SMILES for 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene is C=C(OC(=C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene?
The InChIKey is HFJBBSHXNKCYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F10O/c1-3(5(9,10)7(13,14)15)19-4(2)6(11,12)8(16,17)18/h1-2H2.
What are the key properties of 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene?
3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene has a molecular weight of 306.10 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene is sourced from PubChem (CID 56625874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).