1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone

C12H13FO2 — CID 116873695

IUPAC1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
SMILESCC(=O)C1(c2ccc(F)c(C)c2)COC1
InChIInChI=1S/C12H13FO2/c1-8-5-10(3-4-11(8)13)12(9(2)14)6-15-7-12/h3-5H,6-7H2,1-2H3
InChIKeyRYCDEPVBLJWZLR-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.99
Rot. Bonds2

About 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone

1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone (PubChem CID 116873695) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
PubChem CID116873695
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
SMILESCC(=O)C1(c2ccc(F)c(C)c2)COC1
InChIInChI=1S/C12H13FO2/c1-8-5-10(3-4-11(8)13)12(9(2)14)6-15-7-12/h3-5H,6-7H2,1-2H3
InChIKeyRYCDEPVBLJWZLR-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methylphenyl)oxetane-3-thiol
CID 116872842
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid
CID 116872182
2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869440
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871305
1-[3-(3-chloro-4-ethoxyphenyl)oxetan-3-yl]ethanone
CID 116873724
1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone
CID 116873753
1-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanone
CID 116873703
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone
CID 116873775
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone
CID 117046363

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone?
The IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone (CID 116873695) is 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone is CC(=O)C1(c2ccc(F)c(C)c2)COC1.
What is the InChIKey of 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone?
The InChIKey is RYCDEPVBLJWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-8-5-10(3-4-11(8)13)12(9(2)14)6-15-7-12/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone?
1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone has a molecular weight of 208.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone is sourced from PubChem (CID 116873695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).