2-fluoro-3-(methoxymethyl)-6-nitroaniline

C8H9FN2O3 — CID 123473412

IUPAC2-fluoro-3-(methoxymethyl)-6-nitroaniline
SMILESCOCc1ccc([N+](=O)[O-])c(N)c1F
InChIInChI=1S/C8H9FN2O3/c1-14-4-5-2-3-6(11(12)13)8(10)7(5)9/h2-3H,4,10H2,1H3
InChIKeyJGUFWTNFSFIMPL-UHFFFAOYSA-N
MW200.17 g/mol
LogP1.46
Rot. Bonds3

About 2-fluoro-3-(methoxymethyl)-6-nitroaniline

2-fluoro-3-(methoxymethyl)-6-nitroaniline (PubChem CID 123473412) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-fluoro-3-(methoxymethyl)-6-nitroaniline.

Molecular Properties

Compound Name2-fluoro-3-(methoxymethyl)-6-nitroaniline
PubChem CID123473412
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-fluoro-3-(methoxymethyl)-6-nitroaniline
SMILESCOCc1ccc([N+](=O)[O-])c(N)c1F
InChIInChI=1S/C8H9FN2O3/c1-14-4-5-2-3-6(11(12)13)8(10)7(5)9/h2-3H,4,10H2,1H3
InChIKeyJGUFWTNFSFIMPL-UHFFFAOYSA-N
XLogP1.46
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-(methoxymethyl)-6-nitroaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(methoxymethyl)-6-nitroaniline?
The IUPAC name of 2-fluoro-3-(methoxymethyl)-6-nitroaniline (CID 123473412) is 2-fluoro-3-(methoxymethyl)-6-nitroaniline.
What is the SMILES notation for 2-fluoro-3-(methoxymethyl)-6-nitroaniline?
The canonical SMILES for 2-fluoro-3-(methoxymethyl)-6-nitroaniline is COCc1ccc([N+](=O)[O-])c(N)c1F.
What is the InChIKey of 2-fluoro-3-(methoxymethyl)-6-nitroaniline?
The InChIKey is JGUFWTNFSFIMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-14-4-5-2-3-6(11(12)13)8(10)7(5)9/h2-3H,4,10H2,1H3.
What are the key properties of 2-fluoro-3-(methoxymethyl)-6-nitroaniline?
2-fluoro-3-(methoxymethyl)-6-nitroaniline has a molecular weight of 200.17 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(methoxymethyl)-6-nitroaniline is sourced from PubChem (CID 123473412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).