O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine

C10H10FN3O — CID 117295563

IUPACO-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
SMILESNOCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C10H10FN3O/c11-9-5-8(6-15-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H,6,12H2
InChIKeyLQQDSZRHIVBWSJ-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.40
Rot. Bonds3

About O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine

O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine (PubChem CID 117295563) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
PubChem CID117295563
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC NameO-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
SMILESNOCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C10H10FN3O/c11-9-5-8(6-15-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H,6,12H2
InChIKeyLQQDSZRHIVBWSJ-UHFFFAOYSA-N
XLogP1.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-fluoro-4-(isocyanatomethyl)phenyl]imidazole
CID 117308930
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
3-fluoro-4-imidazol-1-ylbenzenesulfinic acid
CID 68530217
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 86855014
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 166200441
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole
CID 155472277
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
CID 47958616
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181

Frequently Asked Questions

What is the IUPAC name of O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine (CID 117295563) is O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine is NOCc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine?
The InChIKey is LQQDSZRHIVBWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-9-5-8(6-15-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H,6,12H2.
What are the key properties of O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine?
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine has a molecular weight of 207.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117295563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).