2-amino-3-bromo-6-(trifluoromethyl)phenol

C7H5BrF3NO — CID 130691630

IUPAC2-amino-3-bromo-6-(trifluoromethyl)phenol
SMILESNc1c(Br)ccc(C(F)(F)F)c1O
InChIInChI=1S/C7H5BrF3NO/c8-4-2-1-3(7(9,10)11)6(13)5(4)12/h1-2,13H,12H2
InChIKeyOXUCKCMDXDZUKP-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.76
Rot. Bonds

About 2-amino-3-bromo-6-(trifluoromethyl)phenol

2-amino-3-bromo-6-(trifluoromethyl)phenol (PubChem CID 130691630) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 2-amino-3-bromo-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-amino-3-bromo-6-(trifluoromethyl)phenol
PubChem CID130691630
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name2-amino-3-bromo-6-(trifluoromethyl)phenol
SMILESNc1c(Br)ccc(C(F)(F)F)c1O
InChIInChI=1S/C7H5BrF3NO/c8-4-2-1-3(7(9,10)11)6(13)5(4)12/h1-2,13H,12H2
InChIKeyOXUCKCMDXDZUKP-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3-bromo-6-(trifluoromethyl)phenol 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

3-bromo-2,6-bis(trifluoromethyl)phenol
CID 118997062
6-bromo-2-chloro-3-(trifluoromethyl)aniline
CID 129201873
6-bromo-2-methyl-3-(trifluoromethyl)phenol
CID 131341136
2-amino-3-bromo-6-(trifluoromethyl)benzonitrile
CID 122237339
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171255690
3-bromo-2-hydroxy-6-(trifluoromethyl)benzonitrile
CID 122237209
6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol
CID 171005471
1-bromo-2,3,4-tris(trifluoromethyl)benzene
CID 18349903
2-amino-6-(trifluoromethyl)phenol
CID 22272746
3,6-dibromobenzene-1,2-diamine
CID 159857959
3-(aminomethyl)-6-bromo-2-(trifluoromethyl)aniline
CID 130775202
3-bromo-4-(trifluoromethyl)aniline;hydrochloride
CID 71388900

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-6-(trifluoromethyl)phenol?
The IUPAC name of 2-amino-3-bromo-6-(trifluoromethyl)phenol (CID 130691630) is 2-amino-3-bromo-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-amino-3-bromo-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-amino-3-bromo-6-(trifluoromethyl)phenol is Nc1c(Br)ccc(C(F)(F)F)c1O.
What is the InChIKey of 2-amino-3-bromo-6-(trifluoromethyl)phenol?
The InChIKey is OXUCKCMDXDZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-4-2-1-3(7(9,10)11)6(13)5(4)12/h1-2,13H,12H2.
What are the key properties of 2-amino-3-bromo-6-(trifluoromethyl)phenol?
2-amino-3-bromo-6-(trifluoromethyl)phenol has a molecular weight of 256.02 g/mol, XLogP of 2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-6-(trifluoromethyl)phenol is sourced from PubChem (CID 130691630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).