3-(difluoromethoxy)azetidine-1-carbonyl iodide

C5H6F2INO2 — CID 122485646

IUPAC3-(difluoromethoxy)azetidine-1-carbonyl iodide
SMILESO=C(I)N1CC(OC(F)F)C1
InChIInChI=1S/C5H6F2INO2/c6-4(7)11-3-1-9(2-3)5(8)10/h3-4H,1-2H2
InChIKeyCAGMNKHVZGEUEZ-UHFFFAOYSA-N
MW277.01 g/mol
LogP1.46
Rot. Bonds2

About 3-(difluoromethoxy)azetidine-1-carbonyl iodide

3-(difluoromethoxy)azetidine-1-carbonyl iodide (PubChem CID 122485646) has the molecular formula C5H6F2INO2 and a molecular weight of 277.01 g/mol. Its IUPAC name is 3-(difluoromethoxy)azetidine-1-carbonyl iodide.

Molecular Properties

Compound Name3-(difluoromethoxy)azetidine-1-carbonyl iodide
PubChem CID122485646
Molecular FormulaC5H6F2INO2
Molecular Weight277.01 g/mol
Exact Mass276.94
IUPAC Name3-(difluoromethoxy)azetidine-1-carbonyl iodide
SMILESO=C(I)N1CC(OC(F)F)C1
InChIInChI=1S/C5H6F2INO2/c6-4(7)11-3-1-9(2-3)5(8)10/h3-4H,1-2H2
InChIKeyCAGMNKHVZGEUEZ-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.01
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)azetidine-1-carbonyl iodide?
The IUPAC name of 3-(difluoromethoxy)azetidine-1-carbonyl iodide (CID 122485646) is 3-(difluoromethoxy)azetidine-1-carbonyl iodide.
What is the SMILES notation for 3-(difluoromethoxy)azetidine-1-carbonyl iodide?
The canonical SMILES for 3-(difluoromethoxy)azetidine-1-carbonyl iodide is O=C(I)N1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)azetidine-1-carbonyl iodide?
The InChIKey is CAGMNKHVZGEUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2INO2/c6-4(7)11-3-1-9(2-3)5(8)10/h3-4H,1-2H2.
What are the key properties of 3-(difluoromethoxy)azetidine-1-carbonyl iodide?
3-(difluoromethoxy)azetidine-1-carbonyl iodide has a molecular weight of 277.01 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)azetidine-1-carbonyl iodide is sourced from PubChem (CID 122485646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).