1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene

C12H15F3O2 — CID 113226849

IUPAC1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESCc1cccc(OCCOCC(F)(F)F)c1C
InChIInChI=1S/C12H15F3O2/c1-9-4-3-5-11(10(9)2)17-7-6-16-8-12(13,14)15/h3-5H,6-8H2,1-2H3
InChIKeyQCYSDRAALBKRAR-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.26
Rot. Bonds5

About 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene

1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene (PubChem CID 113226849) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
PubChem CID113226849
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESCc1cccc(OCCOCC(F)(F)F)c1C
InChIInChI=1S/C12H15F3O2/c1-9-4-3-5-11(10(9)2)17-7-6-16-8-12(13,14)15/h3-5H,6-8H2,1-2H3
InChIKeyQCYSDRAALBKRAR-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 82828919
1-methyl-2-nitro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 84590418
2-[2-(2,3-dimethylphenoxy)ethoxy]-N-ethylethanamine
CID 82353922
1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354088
2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium
CID 2280971
2-methyl-3-[3-(2,2,2-trifluoroethoxy)propoxy]benzoic acid
CID 82827120
4-bromo-2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 63217061
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 61492457
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethoxy]benzonitrile
CID 79035063
4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 61492538

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The IUPAC name of 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene (CID 113226849) is 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene.
What is the SMILES notation for 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The canonical SMILES for 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene is Cc1cccc(OCCOCC(F)(F)F)c1C.
What is the InChIKey of 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The InChIKey is QCYSDRAALBKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-9-4-3-5-11(10(9)2)17-7-6-16-8-12(13,14)15/h3-5H,6-8H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene has a molecular weight of 248.24 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene is sourced from PubChem (CID 113226849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).