1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane

C8H9F7O2 — CID 57235301

IUPAC1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane
SMILESC=COCCCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7O2/c1-2-16-4-3-5-17-8(14,15)6(9,10)7(11,12)13/h2H,1,3-5H2
InChIKeyVKGKSOKXUUOFRV-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.34
Rot. Bonds7

About 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane

1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 57235301) has the molecular formula C8H9F7O2 and a molecular weight of 270.14 g/mol. Its IUPAC name is 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID57235301
Molecular FormulaC8H9F7O2
Molecular Weight270.14 g/mol
Exact Mass270.05
IUPAC Name1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane
SMILESC=COCCCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7O2/c1-2-16-4-3-5-17-8(14,15)6(9,10)7(11,12)13/h2H,1,3-5H2
InChIKeyVKGKSOKXUUOFRV-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane 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-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane (CID 57235301) is 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane is C=COCCCOC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is VKGKSOKXUUOFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7O2/c1-2-16-4-3-5-17-8(14,15)6(9,10)7(11,12)13/h2H,1,3-5H2.
What are the key properties of 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane?
1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 270.14 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 57235301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).