3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine

C12H13ClFNO — CID 116870742

IUPAC3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine
SMILESFc1ccc(Cl)cc1C1(C2CNC2)COC1
InChIInChI=1S/C12H13ClFNO/c13-9-1-2-11(14)10(3-9)12(6-16-7-12)8-4-15-5-8/h1-3,8,15H,4-7H2
InChIKeyMKXCWBXAWWIIPJ-UHFFFAOYSA-N
MW241.69 g/mol
LogP1.97
Rot. Bonds2

About 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine

3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine (PubChem CID 116870742) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine.

Molecular Properties

Compound Name3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine
PubChem CID116870742
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine
SMILESFc1ccc(Cl)cc1C1(C2CNC2)COC1
InChIInChI=1S/C12H13ClFNO/c13-9-1-2-11(14)10(3-9)12(6-16-7-12)8-4-15-5-8/h1-3,8,15H,4-7H2
InChIKeyMKXCWBXAWWIIPJ-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine?
The IUPAC name of 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine (CID 116870742) is 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine.
What is the SMILES notation for 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine?
The canonical SMILES for 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine is Fc1ccc(Cl)cc1C1(C2CNC2)COC1.
What is the InChIKey of 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine?
The InChIKey is MKXCWBXAWWIIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-9-1-2-11(14)10(3-9)12(6-16-7-12)8-4-15-5-8/h1-3,8,15H,4-7H2.
What are the key properties of 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine?
3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine has a molecular weight of 241.69 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine is sourced from PubChem (CID 116870742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).