1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene

C8H8F8O — CID 90926926

IUPAC1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene
SMILESC=CCC(F)(F)F.C=COC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5O.C4H5F3/c1-2-10-4(8,9)3(5,6)7;1-2-3-4(5,6)7/h2H,1H2;2H,1,3H2
InChIKeyQOQXCGVGPZJXFM-UHFFFAOYSA-N
MW272.14 g/mol
LogP4.43
Rot. Bonds3

About 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene

1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene (PubChem CID 90926926) has the molecular formula C8H8F8O and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene.

Molecular Properties

Compound Name1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene
PubChem CID90926926
Molecular FormulaC8H8F8O
Molecular Weight272.14 g/mol
Exact Mass272.04
IUPAC Name1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene
SMILESC=CCC(F)(F)F.C=COC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5O.C4H5F3/c1-2-10-4(8,9)3(5,6)7;1-2-3-4(5,6)7/h2H,1H2;2H,1,3H2
InChIKeyQOQXCGVGPZJXFM-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene?
The IUPAC name of 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene (CID 90926926) is 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene.
What is the SMILES notation for 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene?
The canonical SMILES for 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene is C=CCC(F)(F)F.C=COC(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene?
The InChIKey is QOQXCGVGPZJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O.C4H5F3/c1-2-10-4(8,9)3(5,6)7;1-2-3-4(5,6)7/h2H,1H2;2H,1,3H2.
What are the key properties of 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene?
1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene has a molecular weight of 272.14 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,2,2,2-pentafluoroethane;4,4,4-trifluorobut-1-ene is sourced from PubChem (CID 90926926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).