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

C7H5BrF3NO — CID 118816851

IUPAC3-amino-6-bromo-2-(trifluoromethyl)phenol
SMILESNc1ccc(Br)c(O)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-3-1-2-4(12)5(6(3)13)7(9,10)11/h1-2,13H,12H2
InChIKeyCFMLVDFFYWLMEW-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.76
Rot. Bonds

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

3-amino-6-bromo-2-(trifluoromethyl)phenol (PubChem CID 118816851) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 3-amino-6-bromo-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-amino-6-bromo-2-(trifluoromethyl)phenol
PubChem CID118816851
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name3-amino-6-bromo-2-(trifluoromethyl)phenol
SMILESNc1ccc(Br)c(O)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-3-1-2-4(12)5(6(3)13)7(9,10)11/h1-2,13H,12H2
InChIKeyCFMLVDFFYWLMEW-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-2-(trifluoromethyl)phenol?
The IUPAC name of 3-amino-6-bromo-2-(trifluoromethyl)phenol (CID 118816851) is 3-amino-6-bromo-2-(trifluoromethyl)phenol.
What is the SMILES notation for 3-amino-6-bromo-2-(trifluoromethyl)phenol?
The canonical SMILES for 3-amino-6-bromo-2-(trifluoromethyl)phenol is Nc1ccc(Br)c(O)c1C(F)(F)F.
What is the InChIKey of 3-amino-6-bromo-2-(trifluoromethyl)phenol?
The InChIKey is CFMLVDFFYWLMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-3-1-2-4(12)5(6(3)13)7(9,10)11/h1-2,13H,12H2.
What are the key properties of 3-amino-6-bromo-2-(trifluoromethyl)phenol?
3-amino-6-bromo-2-(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 3-amino-6-bromo-2-(trifluoromethyl)phenol is sourced from PubChem (CID 118816851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).