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

C7H7BrFNO — CID 58419548

IUPACO-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine
SMILESNOCc1cccc(Br)c1F
InChIInChI=1S/C7H7BrFNO/c8-6-3-1-2-5(4-11-10)7(6)9/h1-3H,4,10H2
InChIKeyMBQPLTDHFNLUJX-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.98
Rot. Bonds2

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

O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine (PubChem CID 58419548) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine
PubChem CID58419548
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC NameO-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine
SMILESNOCc1cccc(Br)c1F
InChIInChI=1S/C7H7BrFNO/c8-6-3-1-2-5(4-11-10)7(6)9/h1-3H,4,10H2
InChIKeyMBQPLTDHFNLUJX-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.98
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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Related Compounds

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CID 117389554
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2-(3-bromo-2-fluorophenyl)ethanol
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(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
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O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
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3-[(2-bromophenoxy)methyl]-2-fluoroaniline
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O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine
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O-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
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(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
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N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
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1-bromo-2-fluoro-3-octylbenzene
CID 155052803

Frequently Asked Questions

What is the IUPAC name of O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine (CID 58419548) is O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine is NOCc1cccc(Br)c1F.
What is the InChIKey of O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine?
The InChIKey is MBQPLTDHFNLUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-6-3-1-2-5(4-11-10)7(6)9/h1-3H,4,10H2.
What are the key properties of O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine?
O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine has a molecular weight of 220.04 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 58419548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).