2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C8H7BrF3NO2 — CID 142396301

IUPAC2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESNc1c(C(O)C(F)(F)F)ccc(Br)c1O
InChIInChI=1S/C8H7BrF3NO2/c9-4-2-1-3(5(13)6(4)14)7(15)8(10,11)12/h1-2,7,14-15H,13H2
InChIKeyUPGZIDLAIBFCRU-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.33
Rot. Bonds1

About 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 142396301) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID142396301
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESNc1c(C(O)C(F)(F)F)ccc(Br)c1O
InChIInChI=1S/C8H7BrF3NO2/c9-4-2-1-3(5(13)6(4)14)7(15)8(10,11)12/h1-2,7,14-15H,13H2
InChIKeyUPGZIDLAIBFCRU-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)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

2-Amino-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 69993778
2-Amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol
CID 121331176
2-Amino-6-bromo-3-trifluoromethylphenol
CID 130699071
6-Bromo-2-nitro-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 142396274
1-(2-Amino-4-bromo-3-methoxyphenyl)-2,2,2-trifluoroethanol
CID 174663933
[2-Amino-4-bromo-3-(trifluoromethoxy)phenyl]methanol
CID 119007185
2-Amino-4-bromo-3-(trifluoromethyl)phenol
CID 130691377
6-Bromo-3-(difluoromethyl)-2-nitrophenol
CID 171006989
2-Amino-6-bromo-3-methylphenol
CID 84776648
2-Amino-3-[(2-bromophenyl)-hydroxymethyl]phenol
CID 105527846
2-Amino-3-[(3-bromophenyl)-hydroxymethyl]phenol
CID 105527847
2-Amino-3-[(4-bromophenyl)-hydroxymethyl]phenol
CID 105527848

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 142396301) is 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol is Nc1c(C(O)C(F)(F)F)ccc(Br)c1O.
What is the InChIKey of 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is UPGZIDLAIBFCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c9-4-2-1-3(5(13)6(4)14)7(15)8(10,11)12/h1-2,7,14-15H,13H2.
What are the key properties of 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol has a molecular weight of 286.05 g/mol, XLogP of 2.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 142396301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).