O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine

C7H6BrF2NO — CID 106264573

IUPACO-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
SMILESNOCc1c(F)ccc(Br)c1F
InChIInChI=1S/C7H6BrF2NO/c8-5-1-2-6(9)4(3-12-11)7(5)10/h1-2H,3,11H2
InChIKeyKOYPURVOTHRAKU-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.12
Rot. Bonds2

About O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine

O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine (PubChem CID 106264573) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
PubChem CID106264573
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC NameO-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
SMILESNOCc1c(F)ccc(Br)c1F
InChIInChI=1S/C7H6BrF2NO/c8-5-1-2-6(9)4(3-12-11)7(5)10/h1-2H,3,11H2
InChIKeyKOYPURVOTHRAKU-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389548
1-bromo-3-(cyclobutyloxymethyl)-2,4-difluorobenzene
CID 106269971
1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene
CID 106269710
3-(aminooxymethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117382990
2-bromo-3-[(3-bromo-2,6-difluorophenyl)methoxy]aniline
CID 106262844
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121
2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine
CID 106264551
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 106262986
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966
5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
CID 106262856
2-[(3-bromo-2,6-difluorophenyl)methoxy]-4,5-dichloroaniline
CID 106262854

Frequently Asked Questions

What is the IUPAC name of O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine (CID 106264573) is O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine is NOCc1c(F)ccc(Br)c1F.
What is the InChIKey of O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine?
The InChIKey is KOYPURVOTHRAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c8-5-1-2-6(9)4(3-12-11)7(5)10/h1-2H,3,11H2.
What are the key properties of O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine?
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine has a molecular weight of 238.03 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 106264573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).