1-ethenoxy-1,1,3,3,3-pentafluoropropane

C5H5F5O — CID 87600810

IUPAC1-ethenoxy-1,1,3,3,3-pentafluoropropane
SMILESC=COC(F)(F)CC(F)(F)F
InChIInChI=1S/C5H5F5O/c1-2-11-5(9,10)3-4(6,7)8/h2H,1,3H2
InChIKeyJYYHENJDVWXWFE-UHFFFAOYSA-N
MW176.08 g/mol
LogP2.69
Rot. Bonds3

About 1-ethenoxy-1,1,3,3,3-pentafluoropropane

1-ethenoxy-1,1,3,3,3-pentafluoropropane (PubChem CID 87600810) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 1-ethenoxy-1,1,3,3,3-pentafluoropropane.

Molecular Properties

Compound Name1-ethenoxy-1,1,3,3,3-pentafluoropropane
PubChem CID87600810
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name1-ethenoxy-1,1,3,3,3-pentafluoropropane
SMILESC=COC(F)(F)CC(F)(F)F
InChIInChI=1S/C5H5F5O/c1-2-11-5(9,10)3-4(6,7)8/h2H,1,3H2
InChIKeyJYYHENJDVWXWFE-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenoxy-1,1,3,3,3-pentafluoropropane 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-1,1,3,3,3-pentafluoropropane?
The IUPAC name of 1-ethenoxy-1,1,3,3,3-pentafluoropropane (CID 87600810) is 1-ethenoxy-1,1,3,3,3-pentafluoropropane.
What is the SMILES notation for 1-ethenoxy-1,1,3,3,3-pentafluoropropane?
The canonical SMILES for 1-ethenoxy-1,1,3,3,3-pentafluoropropane is C=COC(F)(F)CC(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,1,3,3,3-pentafluoropropane?
The InChIKey is JYYHENJDVWXWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c1-2-11-5(9,10)3-4(6,7)8/h2H,1,3H2.
What are the key properties of 1-ethenoxy-1,1,3,3,3-pentafluoropropane?
1-ethenoxy-1,1,3,3,3-pentafluoropropane has a molecular weight of 176.08 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,3,3,3-pentafluoropropane is sourced from PubChem (CID 87600810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).