4-bromo-2-fluoro-6-(methylaminomethyl)phenol

C8H9BrFNO — CID 83895869

IUPAC4-bromo-2-fluoro-6-(methylaminomethyl)phenol
SMILESCNCc1cc(Br)cc(F)c1O
InChIInChI=1S/C8H9BrFNO/c1-11-4-5-2-6(9)3-7(10)8(5)12/h2-3,11-12H,4H2,1H3
InChIKeyZBGYUBKQPAHMQV-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.01
Rot. Bonds2

About 4-bromo-2-fluoro-6-(methylaminomethyl)phenol

4-bromo-2-fluoro-6-(methylaminomethyl)phenol (PubChem CID 83895869) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-(methylaminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-(methylaminomethyl)phenol
PubChem CID83895869
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name4-bromo-2-fluoro-6-(methylaminomethyl)phenol
SMILESCNCc1cc(Br)cc(F)c1O
InChIInChI=1S/C8H9BrFNO/c1-11-4-5-2-6(9)3-7(10)8(5)12/h2-3,11-12H,4H2,1H3
InChIKeyZBGYUBKQPAHMQV-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-(methylaminomethyl)phenol?
The IUPAC name of 4-bromo-2-fluoro-6-(methylaminomethyl)phenol (CID 83895869) is 4-bromo-2-fluoro-6-(methylaminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-fluoro-6-(methylaminomethyl)phenol?
The canonical SMILES for 4-bromo-2-fluoro-6-(methylaminomethyl)phenol is CNCc1cc(Br)cc(F)c1O.
What is the InChIKey of 4-bromo-2-fluoro-6-(methylaminomethyl)phenol?
The InChIKey is ZBGYUBKQPAHMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-11-4-5-2-6(9)3-7(10)8(5)12/h2-3,11-12H,4H2,1H3.
What are the key properties of 4-bromo-2-fluoro-6-(methylaminomethyl)phenol?
4-bromo-2-fluoro-6-(methylaminomethyl)phenol has a molecular weight of 234.07 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-(methylaminomethyl)phenol is sourced from PubChem (CID 83895869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).