N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine

C8H8FNO2 — CID 74061800

IUPACN-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1F
InChIInChI=1S/C8H8FNO2/c1-12-8-3-2-6(5-10-11)4-7(8)9/h2-5,11H,1H3
InChIKeyLJRZZXMAQHVVSC-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.64
Rot. Bonds2

About N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine

N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 74061800) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID74061800
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1F
InChIInChI=1S/C8H8FNO2/c1-12-8-3-2-6(5-10-11)4-7(8)9/h2-5,11H,1H3
InChIKeyLJRZZXMAQHVVSC-UHFFFAOYSA-N
XLogP1.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
CID 95732521
5-[(E)-hydroxyiminomethyl]-2-methoxybenzoic acid
CID 126055980
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20992695
(NZ)-N-[(3-fluoro-4-iodophenyl)methylidene]hydroxylamine
CID 87871003
3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
CID 8972803
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine (CID 74061800) is N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine is COc1ccc(C=NO)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is LJRZZXMAQHVVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-12-8-3-2-6(5-10-11)4-7(8)9/h2-5,11H,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine?
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 169.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 74061800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).