1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone

C12H12F2O3 — CID 116873775

IUPAC1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone
SMILESCOc1cc(F)c(C2(C(C)=O)COC2)cc1F
InChIInChI=1S/C12H12F2O3/c1-7(15)12(5-17-6-12)8-3-10(14)11(16-2)4-9(8)13/h3-4H,5-6H2,1-2H3
InChIKeyQGYXQYFHUXGEMJ-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.83
Rot. Bonds3

About 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone

1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone (PubChem CID 116873775) has the molecular formula C12H12F2O3 and a molecular weight of 242.22 g/mol. Its IUPAC name is 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone
PubChem CID116873775
Molecular FormulaC12H12F2O3
Molecular Weight242.22 g/mol
Exact Mass242.08
IUPAC Name1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone
SMILESCOc1cc(F)c(C2(C(C)=O)COC2)cc1F
InChIInChI=1S/C12H12F2O3/c1-7(15)12(5-17-6-12)8-3-10(14)11(16-2)4-9(8)13/h3-4H,5-6H2,1-2H3
InChIKeyQGYXQYFHUXGEMJ-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
CID 116829775
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869308
1-[3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]ethanone
CID 116873715
3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine
CID 116870765
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117348898
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
CID 116873695

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone?
The IUPAC name of 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone (CID 116873775) is 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone.
What is the SMILES notation for 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone?
The canonical SMILES for 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone is COc1cc(F)c(C2(C(C)=O)COC2)cc1F.
What is the InChIKey of 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone?
The InChIKey is QGYXQYFHUXGEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O3/c1-7(15)12(5-17-6-12)8-3-10(14)11(16-2)4-9(8)13/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone?
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone has a molecular weight of 242.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone is sourced from PubChem (CID 116873775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).