N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine

C7H6BrClFNO — CID 117389561

IUPACN-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine
SMILESONCc1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C7H6BrClFNO/c8-5-1-4(3-11-12)2-6(9)7(5)10/h1-2,11-12H,3H2
InChIKeySNRSJUUDHPIWNT-UHFFFAOYSA-N
MW254.49 g/mol
LogP2.72
Rot. Bonds2

About N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine

N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine (PubChem CID 117389561) has the molecular formula C7H6BrClFNO and a molecular weight of 254.49 g/mol. Its IUPAC name is N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine
PubChem CID117389561
Molecular FormulaC7H6BrClFNO
Molecular Weight254.49 g/mol
Exact Mass252.93
IUPAC NameN-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine
SMILESONCc1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C7H6BrClFNO/c8-5-1-4(3-11-12)2-6(9)7(5)10/h1-2,11-12H,3H2
InChIKeySNRSJUUDHPIWNT-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
5-chloro-4-fluoro-3-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117296925
N-[(6-bromo-3-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389559
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
N-[(3,5-dichlorophenyl)methyl]hydroxylamine
CID 75481736
N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117313592
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
CID 117424956
4-bromo-3-fluoro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117382986
N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine
CID 84804789
3,5-dichloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-fluoroaniline
CID 107572617
2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone
CID 117420397

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine (CID 117389561) is N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine is ONCc1cc(Cl)c(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine?
The InChIKey is SNRSJUUDHPIWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFNO/c8-5-1-4(3-11-12)2-6(9)7(5)10/h1-2,11-12H,3H2.
What are the key properties of N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine?
N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine has a molecular weight of 254.49 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 117389561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).