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

C8H9BrFNO — CID 117339727

IUPACO-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(Br)c(F)c1
InChIInChI=1S/C8H9BrFNO/c9-7-2-1-6(3-4-12-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKeyQTHIHFZHNSSPGD-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.02
Rot. Bonds3

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

O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine (PubChem CID 117339727) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine
PubChem CID117339727
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC NameO-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(Br)c(F)c1
InChIInChI=1S/C8H9BrFNO/c9-7-2-1-6(3-4-12-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKeyQTHIHFZHNSSPGD-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.02
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

O-[(4-bromo-3-fluorophenyl)methyl]hydroxylamine
CID 117313669
2-(4-bromo-3-fluorophenyl)ethanamine
CID 66915310
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
CID 117303184
O-[2-(4-bromophenyl)ethyl]hydroxylamine
CID 83486185
O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine
CID 117339724
4-[2-(4-bromo-3-fluorophenoxy)ethyl]aniline
CID 65204078
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
CID 117280609
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
O-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]hydroxylamine
CID 117353426
1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
CID 168841969
(4-bromo-3-fluorophenyl)methyl 4-bromo-3-fluorobenzoate
CID 70164976

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine (CID 117339727) is O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine is NOCCc1ccc(Br)c(F)c1.
What is the InChIKey of O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine?
The InChIKey is QTHIHFZHNSSPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-7-2-1-6(3-4-12-11)5-8(7)10/h1-2,5H,3-4,11H2.
What are the key properties of O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine?
O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine has a molecular weight of 234.07 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117339727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).