5-fluoro-2-nitro-N-propylaniline

C9H11FN2O2 — CID 50987928

IUPAC5-fluoro-2-nitro-N-propylaniline
SMILESCCCNc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O2/c1-2-5-11-8-6-7(10)3-4-9(8)12(13)14/h3-4,6,11H,2,5H2,1H3
InChIKeyYDBGMWGWMVRJRH-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.56
Rot. Bonds4

About 5-fluoro-2-nitro-N-propylaniline

5-fluoro-2-nitro-N-propylaniline (PubChem CID 50987928) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-propylaniline.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-propylaniline
PubChem CID50987928
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name5-fluoro-2-nitro-N-propylaniline
SMILESCCCNc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O2/c1-2-5-11-8-6-7(10)3-4-9(8)12(13)14/h3-4,6,11H,2,5H2,1H3
InChIKeyYDBGMWGWMVRJRH-UHFFFAOYSA-N
XLogP2.56
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-nitro-N-propylaniline 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

1-(5-fluoro-2-nitroanilino)pentan-3-ol
CID 113497687
N,N-diethyl-3-(5-fluoro-2-nitroanilino)propanamide
CID 62376068
N-[3-(5-fluoro-2-nitroanilino)propyl]methanesulfonamide
CID 107302314
5-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 62376423
5-fluoro-N-(3-methylpentan-3-yl)-2-nitroaniline
CID 114174355
4-nitro-3-(propylamino)benzonitrile
CID 115763494
2-(5-fluoro-2-nitroanilino)ethylurea
CID 83114042
N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine
CID 62665396
4-(5-fluoro-2-nitroanilino)-2-methylbutanoic acid
CID 80539498
5-(5-fluoro-2-nitroanilino)pentanoic acid
CID 18695414
5-fluoro-N-[3-(2-methoxyethoxy)propyl]-2-nitroaniline
CID 107302311
1-N-(5-fluoro-2-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 62377293

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-propylaniline?
The IUPAC name of 5-fluoro-2-nitro-N-propylaniline (CID 50987928) is 5-fluoro-2-nitro-N-propylaniline.
What is the SMILES notation for 5-fluoro-2-nitro-N-propylaniline?
The canonical SMILES for 5-fluoro-2-nitro-N-propylaniline is CCCNc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-nitro-N-propylaniline?
The InChIKey is YDBGMWGWMVRJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-2-5-11-8-6-7(10)3-4-9(8)12(13)14/h3-4,6,11H,2,5H2,1H3.
What are the key properties of 5-fluoro-2-nitro-N-propylaniline?
5-fluoro-2-nitro-N-propylaniline has a molecular weight of 198.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-propylaniline is sourced from PubChem (CID 50987928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).