N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine

C8H8BrClFNO — CID 84808447

IUPACN-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine
SMILESCN(O)Cc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C8H8BrClFNO/c1-12(13)4-6-7(9)2-5(10)3-8(6)11/h2-3,13H,4H2,1H3
InChIKeyMWKVNIHAIFKIFS-UHFFFAOYSA-N
MW268.51 g/mol
LogP3.06
Rot. Bonds2

About N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine

N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine (PubChem CID 84808447) has the molecular formula C8H8BrClFNO and a molecular weight of 268.51 g/mol. Its IUPAC name is N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine
PubChem CID84808447
Molecular FormulaC8H8BrClFNO
Molecular Weight268.51 g/mol
Exact Mass266.95
IUPAC NameN-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine
SMILESCN(O)Cc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C8H8BrClFNO/c1-12(13)4-6-7(9)2-5(10)3-8(6)11/h2-3,13H,4H2,1H3
InChIKeyMWKVNIHAIFKIFS-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine (CID 84808447) is N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine is CN(O)Cc1c(F)cc(Cl)cc1Br.
What is the InChIKey of N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine?
The InChIKey is MWKVNIHAIFKIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFNO/c1-12(13)4-6-7(9)2-5(10)3-8(6)11/h2-3,13H,4H2,1H3.
What are the key properties of N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine?
N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine has a molecular weight of 268.51 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84808447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).