1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene

C9H8BrF3O2 — CID 131371239

IUPAC1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
SMILESCOc1cc(OC)c(C(F)(F)F)cc1Br
InChIInChI=1S/C9H8BrF3O2/c1-14-7-4-8(15-2)6(10)3-5(7)9(11,12)13/h3-4H,1-2H3
InChIKeyQCNSZZGCDRABNL-UHFFFAOYSA-N
MW285.06 g/mol
LogP3.49
Rot. Bonds2

About 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene

1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene (PubChem CID 131371239) has the molecular formula C9H8BrF3O2 and a molecular weight of 285.06 g/mol. Its IUPAC name is 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
PubChem CID131371239
Molecular FormulaC9H8BrF3O2
Molecular Weight285.06 g/mol
Exact Mass283.97
IUPAC Name1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
SMILESCOc1cc(OC)c(C(F)(F)F)cc1Br
InChIInChI=1S/C9H8BrF3O2/c1-14-7-4-8(15-2)6(10)3-5(7)9(11,12)13/h3-4H,1-2H3
InChIKeyQCNSZZGCDRABNL-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-methoxy-5-methylsulfanyl-4-(trifluoromethyl)benzene
CID 166108119
1-bromo-2-methoxy-4-nitro-5-(trifluoromethyl)benzene
CID 171000191
2-[2-bromo-5-methoxy-4-(trifluoromethyl)phenyl]acetonitrile
CID 171008450
2-[4-bromo-5-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 171003527
5-bromo-4-methoxy-2-(trifluoromethyl)benzonitrile
CID 117449217
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
CID 166609344
4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 163722931
5-bromo-2,4-dimethoxybenzenethiol
CID 50989231
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
1-bromo-5-[2-(5-bromo-2,4-dimethoxyphenyl)ethynyl]-2,4-dimethoxybenzene
CID 172870430
1-bromo-4-(bromomethyl)-5-methoxy-2-(trifluoromethyl)benzene
CID 171003728

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene (CID 131371239) is 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene is COc1cc(OC)c(C(F)(F)F)cc1Br.
What is the InChIKey of 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene?
The InChIKey is QCNSZZGCDRABNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O2/c1-14-7-4-8(15-2)6(10)3-5(7)9(11,12)13/h3-4H,1-2H3.
What are the key properties of 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene?
1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene has a molecular weight of 285.06 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene is sourced from PubChem (CID 131371239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).