3-(3-chlorophenoxy)azetidine-1-carbonyl chloride

C10H9Cl2NO2 — CID 15042230

IUPAC3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
SMILESO=C(Cl)N1CC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C10H9Cl2NO2/c11-7-2-1-3-8(4-7)15-9-5-13(6-9)10(12)14/h1-4,9H,5-6H2
InChIKeyGIGBKRYORFPUJJ-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.76
Rot. Bonds2

About 3-(3-chlorophenoxy)azetidine-1-carbonyl chloride

3-(3-chlorophenoxy)azetidine-1-carbonyl chloride (PubChem CID 15042230) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)azetidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
PubChem CID15042230
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
SMILESO=C(Cl)N1CC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C10H9Cl2NO2/c11-7-2-1-3-8(4-7)15-9-5-13(6-9)10(12)14/h1-4,9H,5-6H2
InChIKeyGIGBKRYORFPUJJ-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-(3-chlorophenoxy)azetidine-1-carbonyl chloride?
The IUPAC name of 3-(3-chlorophenoxy)azetidine-1-carbonyl chloride (CID 15042230) is 3-(3-chlorophenoxy)azetidine-1-carbonyl chloride.
What is the SMILES notation for 3-(3-chlorophenoxy)azetidine-1-carbonyl chloride?
The canonical SMILES for 3-(3-chlorophenoxy)azetidine-1-carbonyl chloride is O=C(Cl)N1CC(Oc2cccc(Cl)c2)C1.
What is the InChIKey of 3-(3-chlorophenoxy)azetidine-1-carbonyl chloride?
The InChIKey is GIGBKRYORFPUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c11-7-2-1-3-8(4-7)15-9-5-13(6-9)10(12)14/h1-4,9H,5-6H2.
What are the key properties of 3-(3-chlorophenoxy)azetidine-1-carbonyl chloride?
3-(3-chlorophenoxy)azetidine-1-carbonyl chloride has a molecular weight of 246.09 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)azetidine-1-carbonyl chloride is sourced from PubChem (CID 15042230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).