2-bromo-4-fluoro-3-(methylaminomethyl)phenol

C8H9BrFNO — CID 84796695

IUPAC2-bromo-4-fluoro-3-(methylaminomethyl)phenol
SMILESCNCc1c(F)ccc(O)c1Br
InChIInChI=1S/C8H9BrFNO/c1-11-4-5-6(10)2-3-7(12)8(5)9/h2-3,11-12H,4H2,1H3
InChIKeyIJBULYXIZSWZFB-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.01
Rot. Bonds2

About 2-bromo-4-fluoro-3-(methylaminomethyl)phenol

2-bromo-4-fluoro-3-(methylaminomethyl)phenol (PubChem CID 84796695) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-bromo-4-fluoro-3-(methylaminomethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-3-(methylaminomethyl)phenol
PubChem CID84796695
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name2-bromo-4-fluoro-3-(methylaminomethyl)phenol
SMILESCNCc1c(F)ccc(O)c1Br
InChIInChI=1S/C8H9BrFNO/c1-11-4-5-6(10)2-3-7(12)8(5)9/h2-3,11-12H,4H2,1H3
InChIKeyIJBULYXIZSWZFB-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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-3-(methylaminomethyl)phenol?
The IUPAC name of 2-bromo-4-fluoro-3-(methylaminomethyl)phenol (CID 84796695) is 2-bromo-4-fluoro-3-(methylaminomethyl)phenol.
What is the SMILES notation for 2-bromo-4-fluoro-3-(methylaminomethyl)phenol?
The canonical SMILES for 2-bromo-4-fluoro-3-(methylaminomethyl)phenol is CNCc1c(F)ccc(O)c1Br.
What is the InChIKey of 2-bromo-4-fluoro-3-(methylaminomethyl)phenol?
The InChIKey is IJBULYXIZSWZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-11-4-5-6(10)2-3-7(12)8(5)9/h2-3,11-12H,4H2,1H3.
What are the key properties of 2-bromo-4-fluoro-3-(methylaminomethyl)phenol?
2-bromo-4-fluoro-3-(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 2-bromo-4-fluoro-3-(methylaminomethyl)phenol is sourced from PubChem (CID 84796695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).