1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene

C10H10BrF3O — CID 10589008

IUPAC1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene
SMILESCOC(CBr)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3O/c1-15-9(6-11)7-3-2-4-8(5-7)10(12,13)14/h2-5,9H,6H2,1H3
InChIKeyARKSJJPOAHSSQL-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene

1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene (PubChem CID 10589008) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene
PubChem CID10589008
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene
SMILESCOC(CBr)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3O/c1-15-9(6-11)7-3-2-4-8(5-7)10(12,13)14/h2-5,9H,6H2,1H3
InChIKeyARKSJJPOAHSSQL-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 44562793
1-(2-bromo-1-methoxyethyl)-3-(trifluoromethylsulfanyl)benzene
CID 154100789
3-bromo-1-[3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860229
2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 116712081
1-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 83225619
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63542796
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
1-[2-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-3-methoxybenzene
CID 102722919
2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 53276238

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene (CID 10589008) is 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene is COC(CBr)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene?
The InChIKey is ARKSJJPOAHSSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-15-9(6-11)7-3-2-4-8(5-7)10(12,13)14/h2-5,9H,6H2,1H3.
What are the key properties of 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene?
1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene has a molecular weight of 283.09 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 10589008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).