O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride

C7H9ClFNO — CID 12800721

IUPACO-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(F)cc1
InChIInChI=1S/C7H8FNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
InChIKeyYZNDOVGYWWHJBB-UHFFFAOYSA-N
MW177.61 g/mol
LogP1.64
Rot. Bonds2

About O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride

O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 12800721) has the molecular formula C7H9ClFNO and a molecular weight of 177.61 g/mol. Its IUPAC name is O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID12800721
Molecular FormulaC7H9ClFNO
Molecular Weight177.61 g/mol
Exact Mass177.04
IUPAC NameO-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(F)cc1
InChIInChI=1S/C7H8FNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
InChIKeyYZNDOVGYWWHJBB-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 51.64
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-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride (CID 12800721) is O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccc(F)cc1.
What is the InChIKey of O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is YZNDOVGYWWHJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H.
What are the key properties of O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride?
O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 177.61 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-fluorophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 12800721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).