5-ethoxy-4,4-difluoropent-1-ene

C7H12F2O — CID 144877166

IUPAC5-ethoxy-4,4-difluoropent-1-ene
SMILESC=CCC(F)(F)COCC
InChIInChI=1S/C7H12F2O/c1-3-5-7(8,9)6-10-4-2/h3H,1,4-6H2,2H3
InChIKeyREULNRQNIMPGBU-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.23
Rot. Bonds5

About 5-ethoxy-4,4-difluoropent-1-ene

5-ethoxy-4,4-difluoropent-1-ene (PubChem CID 144877166) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 5-ethoxy-4,4-difluoropent-1-ene.

Molecular Properties

Compound Name5-ethoxy-4,4-difluoropent-1-ene
PubChem CID144877166
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name5-ethoxy-4,4-difluoropent-1-ene
SMILESC=CCC(F)(F)COCC
InChIInChI=1S/C7H12F2O/c1-3-5-7(8,9)6-10-4-2/h3H,1,4-6H2,2H3
InChIKeyREULNRQNIMPGBU-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-ethoxy-4,4-difluoropent-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 5-ethoxy-4,4-difluoropent-1-ene?
The IUPAC name of 5-ethoxy-4,4-difluoropent-1-ene (CID 144877166) is 5-ethoxy-4,4-difluoropent-1-ene.
What is the SMILES notation for 5-ethoxy-4,4-difluoropent-1-ene?
The canonical SMILES for 5-ethoxy-4,4-difluoropent-1-ene is C=CCC(F)(F)COCC.
What is the InChIKey of 5-ethoxy-4,4-difluoropent-1-ene?
The InChIKey is REULNRQNIMPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-3-5-7(8,9)6-10-4-2/h3H,1,4-6H2,2H3.
What are the key properties of 5-ethoxy-4,4-difluoropent-1-ene?
5-ethoxy-4,4-difluoropent-1-ene has a molecular weight of 150.17 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4,4-difluoropent-1-ene is sourced from PubChem (CID 144877166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).