3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane

C13H15F3O2 — CID 116875861

IUPAC3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane
SMILESCOc1cc(C)c(C)cc1C1(C(F)(F)F)COC1
InChIInChI=1S/C13H15F3O2/c1-8-4-10(11(17-3)5-9(8)2)12(6-18-7-12)13(14,15)16/h4-5H,6-7H2,1-3H3
InChIKeyLGBYNXUQUBRZBY-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.14
Rot. Bonds2

About 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane

3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane (PubChem CID 116875861) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane
PubChem CID116875861
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane
SMILESCOc1cc(C)c(C)cc1C1(C(F)(F)F)COC1
InChIInChI=1S/C13H15F3O2/c1-8-4-10(11(17-3)5-9(8)2)12(6-18-7-12)13(14,15)16/h4-5H,6-7H2,1-3H3
InChIKeyLGBYNXUQUBRZBY-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873637
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
CID 116872267
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]hydrazine
CID 116876261
2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 82127880
2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
CID 116874328
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741
3-(5-chloro-4-methoxy-2-methylphenyl)oxetane-3-thiol
CID 116872868
3-(5-chloro-4-methoxy-2-methylphenyl)oxetane-3-carbaldehyde
CID 116872346

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane?
The IUPAC name of 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane (CID 116875861) is 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane.
What is the SMILES notation for 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane?
The canonical SMILES for 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane is COc1cc(C)c(C)cc1C1(C(F)(F)F)COC1.
What is the InChIKey of 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane?
The InChIKey is LGBYNXUQUBRZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-8-4-10(11(17-3)5-9(8)2)12(6-18-7-12)13(14,15)16/h4-5H,6-7H2,1-3H3.
What are the key properties of 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane?
3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane has a molecular weight of 260.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane is sourced from PubChem (CID 116875861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).