O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine

C7H6BrClFNO — CID 117389554

IUPACO-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(Br)c(F)c1Cl
InChIInChI=1S/C7H6BrClFNO/c8-5-2-1-4(3-12-11)6(9)7(5)10/h1-2H,3,11H2
InChIKeySIGYTQCXSFZHSU-UHFFFAOYSA-N
MW254.49 g/mol
LogP2.63
Rot. Bonds2

About O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine

O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine (PubChem CID 117389554) has the molecular formula C7H6BrClFNO and a molecular weight of 254.49 g/mol. Its IUPAC name is O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine
PubChem CID117389554
Molecular FormulaC7H6BrClFNO
Molecular Weight254.49 g/mol
Exact Mass252.93
IUPAC NameO-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(Br)c(F)c1Cl
InChIInChI=1S/C7H6BrClFNO/c8-5-2-1-4(3-12-11)6(9)7(5)10/h1-2H,3,11H2
InChIKeySIGYTQCXSFZHSU-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine (CID 117389554) is O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine is NOCc1ccc(Br)c(F)c1Cl.
What is the InChIKey of O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine?
The InChIKey is SIGYTQCXSFZHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFNO/c8-5-2-1-4(3-12-11)6(9)7(5)10/h1-2H,3,11H2.
What are the key properties of O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine?
O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine has a molecular weight of 254.49 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 117389554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).