4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene

C8H8F6O — CID 87227790

IUPAC4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene
SMILESC=C(CC(F)(F)F)OC(=C)CC(F)(F)F
InChIInChI=1S/C8H8F6O/c1-5(3-7(9,10)11)15-6(2)4-8(12,13)14/h1-4H2
InChIKeyCSCRTAQNNNIDOL-UHFFFAOYSA-N
MW234.14 g/mol
LogP3.94
Rot. Bonds4

About 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene

4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene (PubChem CID 87227790) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene
PubChem CID87227790
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene
SMILESC=C(CC(F)(F)F)OC(=C)CC(F)(F)F
InChIInChI=1S/C8H8F6O/c1-5(3-7(9,10)11)15-6(2)4-8(12,13)14/h1-4H2
InChIKeyCSCRTAQNNNIDOL-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene?
The IUPAC name of 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene (CID 87227790) is 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene.
What is the SMILES notation for 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene?
The canonical SMILES for 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene is C=C(CC(F)(F)F)OC(=C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene?
The InChIKey is CSCRTAQNNNIDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O/c1-5(3-7(9,10)11)15-6(2)4-8(12,13)14/h1-4H2.
What are the key properties of 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene?
4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene has a molecular weight of 234.14 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene is sourced from PubChem (CID 87227790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).