O-[(3,4-difluorophenyl)methyl]hydroxylamine

C7H7F2NO — CID 19876093

IUPACO-[(3,4-difluorophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(F)c(F)c1
InChIInChI=1S/C7H7F2NO/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,10H2
InChIKeyJMDMKAAYVUMVCB-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.36
Rot. Bonds2

About O-[(3,4-difluorophenyl)methyl]hydroxylamine

O-[(3,4-difluorophenyl)methyl]hydroxylamine (PubChem CID 19876093) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is O-[(3,4-difluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3,4-difluorophenyl)methyl]hydroxylamine
PubChem CID19876093
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC NameO-[(3,4-difluorophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(F)c(F)c1
InChIInChI=1S/C7H7F2NO/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,10H2
InChIKeyJMDMKAAYVUMVCB-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.36
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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Related Compounds

O-[(4-bromo-3-fluorophenyl)methyl]hydroxylamine
CID 117313669
[5-(aminooxymethyl)-2-fluorophenyl]methanol
CID 117276845
4-(aminooxymethyl)-2-fluorobenzoic acid
CID 106698513
(3,4-difluorophenyl)methyl formate
CID 87852383
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine
CID 117351173
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
(E)-N-[(3,4-difluorophenyl)methoxy]ethanimine
CID 59571779
1,2-difluoro-4-(iodomethyl)benzene
CID 11161116
(3,4-difluorophenyl)methanol
CID 522833
(3,4-difluorophenyl)methylazanium
CID 6951691

Frequently Asked Questions

What is the IUPAC name of O-[(3,4-difluorophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3,4-difluorophenyl)methyl]hydroxylamine (CID 19876093) is O-[(3,4-difluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3,4-difluorophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3,4-difluorophenyl)methyl]hydroxylamine is NOCc1ccc(F)c(F)c1.
What is the InChIKey of O-[(3,4-difluorophenyl)methyl]hydroxylamine?
The InChIKey is JMDMKAAYVUMVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,10H2.
What are the key properties of O-[(3,4-difluorophenyl)methyl]hydroxylamine?
O-[(3,4-difluorophenyl)methyl]hydroxylamine has a molecular weight of 159.13 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3,4-difluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 19876093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).