O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine

C8H9ClFNO — CID 117281696

IUPACO-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(F)c(CON)cc1Cl
InChIInChI=1S/C8H9ClFNO/c1-5-2-8(10)6(4-12-11)3-7(5)9/h2-3H,4,11H2,1H3
InChIKeyXOWCOFSIEPDZEM-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.18
Rot. Bonds2

About O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine

O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine (PubChem CID 117281696) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
PubChem CID117281696
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC NameO-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(F)c(CON)cc1Cl
InChIInChI=1S/C8H9ClFNO/c1-5-2-8(10)6(4-12-11)3-7(5)9/h2-3H,4,11H2,1H3
InChIKeyXOWCOFSIEPDZEM-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine (CID 117281696) is O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine is Cc1cc(F)c(CON)cc1Cl.
What is the InChIKey of O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine?
The InChIKey is XOWCOFSIEPDZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-5-2-8(10)6(4-12-11)3-7(5)9/h2-3H,4,11H2,1H3.
What are the key properties of O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine?
O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine has a molecular weight of 189.62 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117281696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).