N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine

C8H9BrFNO — CID 87937928

IUPACN-bromo-1-(4-fluorophenyl)-N-methoxymethanamine
SMILESCON(Br)Cc1ccc(F)cc1
InChIInChI=1S/C8H9BrFNO/c1-12-11(9)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKeyWLSJSPMUJGBXIU-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.50
Rot. Bonds3

About N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine

N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine (PubChem CID 87937928) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound NameN-bromo-1-(4-fluorophenyl)-N-methoxymethanamine
PubChem CID87937928
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC NameN-bromo-1-(4-fluorophenyl)-N-methoxymethanamine
SMILESCON(Br)Cc1ccc(F)cc1
InChIInChI=1S/C8H9BrFNO/c1-12-11(9)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKeyWLSJSPMUJGBXIU-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine?
The IUPAC name of N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine (CID 87937928) is N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine?
The canonical SMILES for N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine is CON(Br)Cc1ccc(F)cc1.
What is the InChIKey of N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine?
The InChIKey is WLSJSPMUJGBXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-12-11(9)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3.
What are the key properties of N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine?
N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine has a molecular weight of 234.07 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 87937928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).