2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene

C10H10BrF3O2 — CID 170276413

IUPAC2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene
SMILESCc1ccc(OCCOC(F)(F)F)cc1Br
InChIInChI=1S/C10H10BrF3O2/c1-7-2-3-8(6-9(7)11)15-4-5-16-10(12,13)14/h2-3,6H,4-5H2,1H3
InChIKeyHRXQEVZBAIXUJL-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.67
Rot. Bonds4

About 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene

2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene (PubChem CID 170276413) has the molecular formula C10H10BrF3O2 and a molecular weight of 299.09 g/mol. Its IUPAC name is 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene.

Molecular Properties

Compound Name2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene
PubChem CID170276413
Molecular FormulaC10H10BrF3O2
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC Name2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene
SMILESCc1ccc(OCCOC(F)(F)F)cc1Br
InChIInChI=1S/C10H10BrF3O2/c1-7-2-3-8(6-9(7)11)15-4-5-16-10(12,13)14/h2-3,6H,4-5H2,1H3
InChIKeyHRXQEVZBAIXUJL-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.67
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-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene
CID 166607692
4-bromo-1-methyl-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 107284110
1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 81004746
O-(3-bromo-4-methylphenyl)hydroxylamine
CID 131165484
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
1-(3-bromo-4-methylphenoxy)propan-2-ol
CID 130815670
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
2-bromo-4-(2-butoxyethoxy)-1-(trifluoromethoxy)benzene
CID 102714755
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene?
The IUPAC name of 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene (CID 170276413) is 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene.
What is the SMILES notation for 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene?
The canonical SMILES for 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene is Cc1ccc(OCCOC(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene?
The InChIKey is HRXQEVZBAIXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O2/c1-7-2-3-8(6-9(7)11)15-4-5-16-10(12,13)14/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene?
2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene has a molecular weight of 299.09 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene is sourced from PubChem (CID 170276413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).