3,4-dibromo-5-(trifluoromethyl)aniline

C7H4Br2F3N — CID 121228150

IUPAC3,4-dibromo-5-(trifluoromethyl)aniline
SMILESNc1cc(Br)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H4Br2F3N/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H,13H2
InChIKeySKDXDOUEBVTAQL-UHFFFAOYSA-N
MW318.92 g/mol
LogP3.81
Rot. Bonds

About 3,4-dibromo-5-(trifluoromethyl)aniline

3,4-dibromo-5-(trifluoromethyl)aniline (PubChem CID 121228150) has the molecular formula C7H4Br2F3N and a molecular weight of 318.92 g/mol. Its IUPAC name is 3,4-dibromo-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3,4-dibromo-5-(trifluoromethyl)aniline
PubChem CID121228150
Molecular FormulaC7H4Br2F3N
Molecular Weight318.92 g/mol
Exact Mass316.87
IUPAC Name3,4-dibromo-5-(trifluoromethyl)aniline
SMILESNc1cc(Br)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H4Br2F3N/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H,13H2
InChIKeySKDXDOUEBVTAQL-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.92
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(difluoromethoxy)-5-(trifluoromethyl)aniline
CID 131408646
[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol
CID 130775166
3-bromo-4-(trifluoromethyl)aniline;hydrochloride
CID 71388900
2-bromo-5-iodo-3-(trifluoromethyl)aniline
CID 118994035
3,4-dibromo-5-(trifluoromethoxy)aniline
CID 121228147
1-[3,4-dibromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 175185257
3,5-dibromo-4-(2,2,2-trifluoroethoxy)aniline
CID 60759570
4-methoxy-3,5-bis(trifluoromethyl)aniline
CID 134640581
4-fluoro-3-methyl-5-(trifluoromethyl)aniline
CID 86277674
6-fluoro-5-(trifluoromethyl)pyridin-3-amine
CID 130775197
4-chloro-3-(trifluoromethoxy)-5-(trifluoromethyl)aniline
CID 171035858
4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid
CID 19986954

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-5-(trifluoromethyl)aniline?
The IUPAC name of 3,4-dibromo-5-(trifluoromethyl)aniline (CID 121228150) is 3,4-dibromo-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3,4-dibromo-5-(trifluoromethyl)aniline?
The canonical SMILES for 3,4-dibromo-5-(trifluoromethyl)aniline is Nc1cc(Br)c(Br)c(C(F)(F)F)c1.
What is the InChIKey of 3,4-dibromo-5-(trifluoromethyl)aniline?
The InChIKey is SKDXDOUEBVTAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3N/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H,13H2.
What are the key properties of 3,4-dibromo-5-(trifluoromethyl)aniline?
3,4-dibromo-5-(trifluoromethyl)aniline has a molecular weight of 318.92 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-5-(trifluoromethyl)aniline is sourced from PubChem (CID 121228150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).