1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene

C7H3F9O — CID 87403582

IUPAC1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
SMILESC=COC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F9O/c1-2-17-4(9)3(8)5(10,11)6(12,13)7(14,15)16/h2H,1H2
InChIKeyBILHUXPDZNWJPG-UHFFFAOYSA-N
MW274.08 g/mol
LogP4.09
Rot. Bonds4

About 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene

1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene (PubChem CID 87403582) has the molecular formula C7H3F9O and a molecular weight of 274.08 g/mol. Its IUPAC name is 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene.

Molecular Properties

Compound Name1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
PubChem CID87403582
Molecular FormulaC7H3F9O
Molecular Weight274.08 g/mol
Exact Mass274.00
IUPAC Name1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
SMILESC=COC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F9O/c1-2-17-4(9)3(8)5(10,11)6(12,13)7(14,15)16/h2H,1H2
InChIKeyBILHUXPDZNWJPG-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 54.09
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'}

Analyze 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-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-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene?
The IUPAC name of 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene (CID 87403582) is 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene.
What is the SMILES notation for 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene?
The canonical SMILES for 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene is C=COC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene?
The InChIKey is BILHUXPDZNWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F9O/c1-2-17-4(9)3(8)5(10,11)6(12,13)7(14,15)16/h2H,1H2.
What are the key properties of 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene?
1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene has a molecular weight of 274.08 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene is sourced from PubChem (CID 87403582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).