2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene

C10H10BrF3O2 — CID 169138139

IUPAC2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
SMILESCOC(OC)c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H10BrF3O2/c1-15-9(16-2)7-4-3-6(5-8(7)11)10(12,13)14/h3-5,9H,1-2H3
InChIKeySZTUVOXFMWUUOV-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.76
Rot. Bonds3

About 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene

2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene (PubChem CID 169138139) has the molecular formula C10H10BrF3O2 and a molecular weight of 299.09 g/mol. Its IUPAC name is 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
PubChem CID169138139
Molecular FormulaC10H10BrF3O2
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC Name2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
SMILESCOC(OC)c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H10BrF3O2/c1-15-9(16-2)7-4-3-6(5-8(7)11)10(12,13)14/h3-5,9H,1-2H3
InChIKeySZTUVOXFMWUUOV-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-bromo-4-(trifluoromethyl)phenyl]ethanamine
CID 131172048
2-bromo-1-(2-bromo-4-methylpentan-3-yl)-4-(trifluoromethyl)benzene
CID 115512231
1-(dimethoxymethyl)-2-fluoro-4-(trifluoromethyl)benzene;2-fluoro-4-(trifluoromethyl)benzaldehyde
CID 158629586
2-bromo-1-(3-chloropentan-2-yl)-4-(trifluoromethyl)benzene
CID 115512250
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
3-bromo-1-[2-bromo-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171861129
2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene
CID 91883137
[2-bromo-4-(trifluoromethyl)phenyl] methyl carbonate
CID 131988221
(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131873275
2-[2-bromo-4-(trifluoromethyl)phenyl]pentanoic acid
CID 113428070
ethyl 2-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoacetate
CID 104571404
2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine
CID 117414435

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene (CID 169138139) is 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene is COC(OC)c1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene?
The InChIKey is SZTUVOXFMWUUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O2/c1-15-9(16-2)7-4-3-6(5-8(7)11)10(12,13)14/h3-5,9H,1-2H3.
What are the key properties of 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene?
2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene has a molecular weight of 299.09 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 169138139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).