2-(12-fluorododeca-3,6-dienoxy)oxane

C17H29FO2 — CID 56616439

IUPAC2-(12-fluorododeca-3,6-dienoxy)oxane
SMILESFCCCCCC=CCC=CCCOC1CCCCO1
InChIInChI=1S/C17H29FO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h1-2,6,8,17H,3-5,7,9-16H2
InChIKeyYSBFUQGDABHKCR-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.95
Rot. Bonds11

About 2-(12-fluorododeca-3,6-dienoxy)oxane

2-(12-fluorododeca-3,6-dienoxy)oxane (PubChem CID 56616439) has the molecular formula C17H29FO2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(12-fluorododeca-3,6-dienoxy)oxane.

Molecular Properties

Compound Name2-(12-fluorododeca-3,6-dienoxy)oxane
PubChem CID56616439
Molecular FormulaC17H29FO2
Molecular Weight284.41 g/mol
Exact Mass284.22
IUPAC Name2-(12-fluorododeca-3,6-dienoxy)oxane
SMILESFCCCCCC=CCC=CCCOC1CCCCO1
InChIInChI=1S/C17H29FO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h1-2,6,8,17H,3-5,7,9-16H2
InChIKeyYSBFUQGDABHKCR-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(12-fluorododeca-3,6-dienoxy)oxane 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 2-(12-fluorododeca-3,6-dienoxy)oxane?
The IUPAC name of 2-(12-fluorododeca-3,6-dienoxy)oxane (CID 56616439) is 2-(12-fluorododeca-3,6-dienoxy)oxane.
What is the SMILES notation for 2-(12-fluorododeca-3,6-dienoxy)oxane?
The canonical SMILES for 2-(12-fluorododeca-3,6-dienoxy)oxane is FCCCCCC=CCC=CCCOC1CCCCO1.
What is the InChIKey of 2-(12-fluorododeca-3,6-dienoxy)oxane?
The InChIKey is YSBFUQGDABHKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h1-2,6,8,17H,3-5,7,9-16H2.
What are the key properties of 2-(12-fluorododeca-3,6-dienoxy)oxane?
2-(12-fluorododeca-3,6-dienoxy)oxane has a molecular weight of 284.41 g/mol, XLogP of 4.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-fluorododeca-3,6-dienoxy)oxane is sourced from PubChem (CID 56616439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).