O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride

C13H12ClF2NO — CID 155562131

IUPACO-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H11F2NO.ClH/c14-11-6-10(7-12(15)8-11)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
InChIKeySGZWMBINNSEKQK-UHFFFAOYSA-N
MW271.69 g/mol
LogP3.37
Rot. Bonds3

About O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride

O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride (PubChem CID 155562131) has the molecular formula C13H12ClF2NO and a molecular weight of 271.69 g/mol. Its IUPAC name is O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
PubChem CID155562131
Molecular FormulaC13H12ClF2NO
Molecular Weight271.69 g/mol
Exact Mass271.06
IUPAC NameO-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H11F2NO.ClH/c14-11-6-10(7-12(15)8-11)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
InChIKeySGZWMBINNSEKQK-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 53.37
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-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride (CID 155562131) is O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride is Cl.NOC(c1ccccc1)c1cc(F)cc(F)c1.
What is the InChIKey of O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The InChIKey is SGZWMBINNSEKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO.ClH/c14-11-6-10(7-12(15)8-11)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H.
What are the key properties of O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride has a molecular weight of 271.69 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 155562131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).