oxane-4-carbonyl fluoride

C6H9FO2 — CID 142990314

IUPACoxane-4-carbonyl fluoride
SMILESO=C(F)C1CCOCC1
InChIInChI=1S/C6H9FO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2
InChIKeyOASGZGBATIRCHO-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.91
Rot. Bonds1

About oxane-4-carbonyl fluoride

oxane-4-carbonyl fluoride (PubChem CID 142990314) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is oxane-4-carbonyl fluoride.

Molecular Properties

Compound Nameoxane-4-carbonyl fluoride
PubChem CID142990314
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Nameoxane-4-carbonyl fluoride
SMILESO=C(F)C1CCOCC1
InChIInChI=1S/C6H9FO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2
InChIKeyOASGZGBATIRCHO-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxane-4-carbonyl fluoride 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 oxane-4-carbonyl fluoride?
The IUPAC name of oxane-4-carbonyl fluoride (CID 142990314) is oxane-4-carbonyl fluoride.
What is the SMILES notation for oxane-4-carbonyl fluoride?
The canonical SMILES for oxane-4-carbonyl fluoride is O=C(F)C1CCOCC1.
What is the InChIKey of oxane-4-carbonyl fluoride?
The InChIKey is OASGZGBATIRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2.
What are the key properties of oxane-4-carbonyl fluoride?
oxane-4-carbonyl fluoride has a molecular weight of 132.13 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-4-carbonyl fluoride is sourced from PubChem (CID 142990314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).