2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C8H7BrF3NO2 — CID 142395987

IUPAC2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESNc1cc(C(O)C(F)(F)F)cc(Br)c1O
InChIInChI=1S/C8H7BrF3NO2/c9-4-1-3(2-5(13)6(4)14)7(15)8(10,11)12/h1-2,7,14-15H,13H2
InChIKeyGUQSXMSGOHRLIN-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.33
Rot. Bonds1

About 2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 142395987) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID142395987
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESNc1cc(C(O)C(F)(F)F)cc(Br)c1O
InChIInChI=1S/C8H7BrF3NO2/c9-4-1-3(2-5(13)6(4)14)7(15)8(10,11)12/h1-2,7,14-15H,13H2
InChIKeyGUQSXMSGOHRLIN-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'}

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Related Compounds

2-Amino-6-bromo-4-methylphenol
CID 12514799
3-Bromo-4-hydroxy-5-(trifluoromethyl)aniline
CID 13784437
3-Amino-5-bromo-4-hydroxybenzotrifluoride
CID 97301783
2-Amino-4-bromo-6-(trifluoromethyl)phenol
CID 126673849
2-Bromo-6-nitro-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 142396242
2-Amino-6-bromo-4-tert-butylphenol
CID 17746800
Resorcinol, 4-amino-2-bromo-6-hexyl-, hydrobromide
CID 3031772
6-Amino-2-bromo-3-fluoro-4-methylphenol
CID 84685279
2-Amino-6-bromo-3-fluoro-4-methylphenol
CID 84787247
3-Amino-5-bromo-6-fluoro-2-hydroxybenzotrifluoride
CID 99770471
[3-Amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol
CID 131510909
2-Azido-6-bromo-4-(trifluoromethyl)phenol
CID 151414460

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 142395987) is 2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is Nc1cc(C(O)C(F)(F)F)cc(Br)c1O.
What is the InChIKey of 2-amino-6-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is GUQSXMSGOHRLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c9-4-1-3(2-5(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-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2-amino-6-bromo-4-(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-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 142395987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).