4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene

C11H13F3O2 — CID 20785482

IUPAC4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
SMILESCOCCOc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O2/c1-8-3-4-9(16-6-5-15-2)7-10(8)11(12,13)14/h3-4,7H,5-6H2,1-2H3
InChIKeyKDKYQTTXGCTLFY-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.04
Rot. Bonds4

About 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene

4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene (PubChem CID 20785482) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
PubChem CID20785482
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
SMILESCOCCOc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O2/c1-8-3-4-9(16-6-5-15-2)7-10(8)11(12,13)14/h3-4,7H,5-6H2,1-2H3
InChIKeyKDKYQTTXGCTLFY-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.04
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

4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
CID 23540082
4-(3-methoxypropoxy)-2-(trifluoromethyl)benzonitrile
CID 54936581
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 129320520
3-[4-methyl-3-(trifluoromethyl)phenoxy]propane-1,2-diol
CID 70644511
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 154985854
[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 103400813

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene (CID 20785482) is 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene is COCCOc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is KDKYQTTXGCTLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-8-3-4-9(16-6-5-15-2)7-10(8)11(12,13)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene?
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 234.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 20785482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).