2-(4-fluorophenyl)-4-nitroaniline

C12H9FN2O2 — CID 139699338

IUPAC2-(4-fluorophenyl)-4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1-c1ccc(F)cc1
InChIInChI=1S/C12H9FN2O2/c13-9-3-1-8(2-4-9)11-7-10(15(16)17)5-6-12(11)14/h1-7H,14H2
InChIKeyFDBIQRFECSXGNK-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.98
Rot. Bonds2

About 2-(4-fluorophenyl)-4-nitroaniline

2-(4-fluorophenyl)-4-nitroaniline (PubChem CID 139699338) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-nitroaniline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-nitroaniline
PubChem CID139699338
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-(4-fluorophenyl)-4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1-c1ccc(F)cc1
InChIInChI=1S/C12H9FN2O2/c13-9-3-1-8(2-4-9)11-7-10(15(16)17)5-6-12(11)14/h1-7H,14H2
InChIKeyFDBIQRFECSXGNK-UHFFFAOYSA-N
XLogP2.98
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)-4-nitroaniline 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

2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-4-nitrophenyl]sulfanyl-4-nitrobenzene
CID 87955894
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
2-(6-fluoro-1,3-benzoxazol-2-yl)-4-nitroaniline
CID 63676176
2-(5-fluoro-1,3-benzoxazol-2-yl)-4-nitroaniline
CID 64792865
2-(4-fluorophenyl)-3-(4-nitrophenyl)-5-(trifluoromethyl)thiophene
CID 23372817
4-(2,4-difluorophenyl)-2-nitroaniline
CID 175739959
2,6-difluoro-3-(4-nitrophenyl)aniline
CID 165455095
4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-nitroaniline
CID 61279765
[4-(4-fluorophenyl)-6-(4-nitrophenyl)pyrimidin-2-yl]urea
CID 46704086
4-[2-[2-(4-fluorophenyl)ethynyl]-4-nitrophenyl]benzaldehyde
CID 178144167
1-tert-butyl-5-(4-fluorophenyl)-4-(4-nitrophenyl)pyrazole
CID 130297486

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-nitroaniline?
The IUPAC name of 2-(4-fluorophenyl)-4-nitroaniline (CID 139699338) is 2-(4-fluorophenyl)-4-nitroaniline.
What is the SMILES notation for 2-(4-fluorophenyl)-4-nitroaniline?
The canonical SMILES for 2-(4-fluorophenyl)-4-nitroaniline is Nc1ccc([N+](=O)[O-])cc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-nitroaniline?
The InChIKey is FDBIQRFECSXGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-9-3-1-8(2-4-9)11-7-10(15(16)17)5-6-12(11)14/h1-7H,14H2.
What are the key properties of 2-(4-fluorophenyl)-4-nitroaniline?
2-(4-fluorophenyl)-4-nitroaniline has a molecular weight of 232.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-nitroaniline is sourced from PubChem (CID 139699338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).