5-bromo-2-(trifluoromethoxy)aniline

C7H5BrF3NO — CID 2779367

IUPAC5-bromo-2-(trifluoromethoxy)aniline
SMILESNc1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2
InChIKeyFOJWHUFRHXEUBA-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.93
Rot. Bonds1

About 5-bromo-2-(trifluoromethoxy)aniline

5-bromo-2-(trifluoromethoxy)aniline (PubChem CID 2779367) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethoxy)aniline
PubChem CID2779367
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name5-bromo-2-(trifluoromethoxy)aniline
SMILESNc1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2
InChIKeyFOJWHUFRHXEUBA-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(trifluoromethoxy)aniline 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

5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
4-bromo-2-(chloromethyl)-1-(trifluoromethoxy)benzene
CID 72699152
[5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite
CID 168963453
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
5-bromo-2-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 65429422
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
5-bromo-4-chloro-2-(trifluoromethoxy)aniline
CID 121227608
5-bromo-2-(trifluoromethoxy)-4-(trifluoromethyl)aniline
CID 134629385
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192731
1-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192723
(2S)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208056

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethoxy)aniline?
The IUPAC name of 5-bromo-2-(trifluoromethoxy)aniline (CID 2779367) is 5-bromo-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 5-bromo-2-(trifluoromethoxy)aniline?
The canonical SMILES for 5-bromo-2-(trifluoromethoxy)aniline is Nc1cc(Br)ccc1OC(F)(F)F.
What is the InChIKey of 5-bromo-2-(trifluoromethoxy)aniline?
The InChIKey is FOJWHUFRHXEUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2.
What are the key properties of 5-bromo-2-(trifluoromethoxy)aniline?
5-bromo-2-(trifluoromethoxy)aniline has a molecular weight of 256.02 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 2779367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).