O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine

C9H12F2N2O — CID 117111216

IUPACO-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine
SMILESCN(C)c1cc(F)c(F)cc1CON
InChIInChI=1S/C9H12F2N2O/c1-13(2)9-4-8(11)7(10)3-6(9)5-14-12/h3-4H,5,12H2,1-2H3
InChIKeyGSIGRIFMVRBCDX-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.42
Rot. Bonds3

About O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine

O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine (PubChem CID 117111216) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine
PubChem CID117111216
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC NameO-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine
SMILESCN(C)c1cc(F)c(F)cc1CON
InChIInChI=1S/C9H12F2N2O/c1-13(2)9-4-8(11)7(10)3-6(9)5-14-12/h3-4H,5,12H2,1-2H3
InChIKeyGSIGRIFMVRBCDX-UHFFFAOYSA-N
XLogP1.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine (CID 117111216) is O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine is CN(C)c1cc(F)c(F)cc1CON.
What is the InChIKey of O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine?
The InChIKey is GSIGRIFMVRBCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-13(2)9-4-8(11)7(10)3-6(9)5-14-12/h3-4H,5,12H2,1-2H3.
What are the key properties of O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine?
O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine has a molecular weight of 202.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine is sourced from PubChem (CID 117111216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).