O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine

C8H9F2NO — CID 25137638

IUPACO-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine
SMILESCc1ccc(CON)c(F)c1F
InChIInChI=1S/C8H9F2NO/c1-5-2-3-6(4-12-11)8(10)7(5)9/h2-3H,4,11H2,1H3
InChIKeyCRCGCNGXVQUDHW-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.66
Rot. Bonds2

About O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine

O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine (PubChem CID 25137638) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine
PubChem CID25137638
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameO-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine
SMILESCc1ccc(CON)c(F)c1F
InChIInChI=1S/C8H9F2NO/c1-5-2-3-6(4-12-11)8(10)7(5)9/h2-3H,4,11H2,1H3
InChIKeyCRCGCNGXVQUDHW-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.66
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-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine (CID 25137638) is O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine is Cc1ccc(CON)c(F)c1F.
What is the InChIKey of O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine?
The InChIKey is CRCGCNGXVQUDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5-2-3-6(4-12-11)8(10)7(5)9/h2-3H,4,11H2,1H3.
What are the key properties of O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine?
O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine has a molecular weight of 173.16 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2,3-difluoro-4-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 25137638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).