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

C7H6BrClFNO — CID 117389552

IUPACO-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine
SMILESNOCc1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C7H6BrClFNO/c8-5-1-4(3-12-11)2-6(10)7(5)9/h1-2H,3,11H2
InChIKeyMLKHANWWZCPLED-UHFFFAOYSA-N
MW254.49 g/mol
LogP2.63
Rot. Bonds2

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

O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine (PubChem CID 117389552) has the molecular formula C7H6BrClFNO and a molecular weight of 254.49 g/mol. Its IUPAC name is O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine
PubChem CID117389552
Molecular FormulaC7H6BrClFNO
Molecular Weight254.49 g/mol
Exact Mass252.93
IUPAC NameO-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine
SMILESNOCc1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C7H6BrClFNO/c8-5-1-4(3-12-11)2-6(10)7(5)9/h1-2H,3,11H2
InChIKeyMLKHANWWZCPLED-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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Related Compounds

O-[(4-bromo-3-fluorophenyl)methyl]hydroxylamine
CID 117313669
2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
CID 83902718
3-bromo-4-chloro-5-fluoroaniline
CID 131585188
1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448563
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine
CID 117420420
O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine
CID 117339731
O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine
CID 117389554
O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117280138
O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
CID 117345694
ethyl 3-bromo-4-chloro-5-fluorobenzoate
CID 50997980
O-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389548

Frequently Asked Questions

What is the IUPAC name of O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine (CID 117389552) is O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine is NOCc1cc(F)c(Cl)c(Br)c1.
What is the InChIKey of O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine?
The InChIKey is MLKHANWWZCPLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFNO/c8-5-1-4(3-12-11)2-6(10)7(5)9/h1-2H,3,11H2.
What are the key properties of O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine?
O-[(3-bromo-4-chloro-5-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-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 117389552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).