2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol

C7H4BrF4NO — CID 121331176

IUPAC2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol
SMILESNc1c(O)c(Br)cc(F)c1C(F)(F)F
InChIInChI=1S/C7H4BrF4NO/c8-2-1-3(9)4(7(10,11)12)5(13)6(2)14/h1,14H,13H2
InChIKeyOYPUGJOVTUVRSN-UHFFFAOYSA-N
MW274.01 g/mol
LogP2.89
Rot. Bonds

About 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol

2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol (PubChem CID 121331176) has the molecular formula C7H4BrF4NO and a molecular weight of 274.01 g/mol. Its IUPAC name is 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol
PubChem CID121331176
Molecular FormulaC7H4BrF4NO
Molecular Weight274.01 g/mol
Exact Mass272.94
IUPAC Name2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol
SMILESNc1c(O)c(Br)cc(F)c1C(F)(F)F
InChIInChI=1S/C7H4BrF4NO/c8-2-1-3(9)4(7(10,11)12)5(13)6(2)14/h1,14H,13H2
InChIKeyOYPUGJOVTUVRSN-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.01
LogP ≤ 52.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol?
The IUPAC name of 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol (CID 121331176) is 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol is Nc1c(O)c(Br)cc(F)c1C(F)(F)F.
What is the InChIKey of 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol?
The InChIKey is OYPUGJOVTUVRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4NO/c8-2-1-3(9)4(7(10,11)12)5(13)6(2)14/h1,14H,13H2.
What are the key properties of 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol?
2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol has a molecular weight of 274.01 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-fluoro-3-(trifluoromethyl)phenol is sourced from PubChem (CID 121331176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).