3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine

C13H15F2NO2 — CID 116870765

IUPAC3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine
SMILESCOc1cc(F)c(C2(C3CNC3)COC2)cc1F
InChIInChI=1S/C13H15F2NO2/c1-17-12-3-10(14)9(2-11(12)15)13(6-18-7-13)8-4-16-5-8/h2-3,8,16H,4-7H2,1H3
InChIKeyNTVIFVSWANFKDO-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.46
Rot. Bonds3

About 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine

3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine (PubChem CID 116870765) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine.

Molecular Properties

Compound Name3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine
PubChem CID116870765
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine
SMILESCOc1cc(F)c(C2(C3CNC3)COC2)cc1F
InChIInChI=1S/C13H15F2NO2/c1-17-12-3-10(14)9(2-11(12)15)13(6-18-7-13)8-4-16-5-8/h2-3,8,16H,4-7H2,1H3
InChIKeyNTVIFVSWANFKDO-UHFFFAOYSA-N
XLogP1.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine
CID 116870718
3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine
CID 116870742
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869308
[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
CID 116829775
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone
CID 116873775
3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine
CID 116870769
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]pyrrolidine
CID 116870863
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
2-[(2,5-difluoro-4-methoxyphenyl)methyl]morpholine
CID 67073211
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine?
The IUPAC name of 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine (CID 116870765) is 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine.
What is the SMILES notation for 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine?
The canonical SMILES for 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine is COc1cc(F)c(C2(C3CNC3)COC2)cc1F.
What is the InChIKey of 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine?
The InChIKey is NTVIFVSWANFKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-17-12-3-10(14)9(2-11(12)15)13(6-18-7-13)8-4-16-5-8/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine?
3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine has a molecular weight of 255.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine is sourced from PubChem (CID 116870765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).