3-(2-chloro-4-fluorophenoxy)-1-methylazetidine

C10H11ClFNO — CID 134964261

IUPAC3-(2-chloro-4-fluorophenoxy)-1-methylazetidine
SMILESCN1CC(Oc2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H11ClFNO/c1-13-5-8(6-13)14-10-3-2-7(12)4-9(10)11/h2-4,8H,5-6H2,1H3
InChIKeyUXTKWZZDUJAVIF-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.17
Rot. Bonds2

About 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine

3-(2-chloro-4-fluorophenoxy)-1-methylazetidine (PubChem CID 134964261) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-1-methylazetidine
PubChem CID134964261
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name3-(2-chloro-4-fluorophenoxy)-1-methylazetidine
SMILESCN1CC(Oc2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H11ClFNO/c1-13-5-8(6-13)14-10-3-2-7(12)4-9(10)11/h2-4,8H,5-6H2,1H3
InChIKeyUXTKWZZDUJAVIF-UHFFFAOYSA-N
XLogP2.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine (CID 134964261) is 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine is CN1CC(Oc2ccc(F)cc2Cl)C1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine?
The InChIKey is UXTKWZZDUJAVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-13-5-8(6-13)14-10-3-2-7(12)4-9(10)11/h2-4,8H,5-6H2,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine?
3-(2-chloro-4-fluorophenoxy)-1-methylazetidine has a molecular weight of 215.66 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-1-methylazetidine is sourced from PubChem (CID 134964261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).