1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine

C12H10FN3O2 — CID 55079927

IUPAC1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
SMILESNc1cc([N+](=O)[O-])ccc1Nc1ccccc1F
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-2-4-11(9)15-12-6-5-8(16(17)18)7-10(12)14/h1-7,15H,14H2
InChIKeyADRRDLXBIINMBZ-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.06
Rot. Bonds3

About 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine

1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine (PubChem CID 55079927) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
PubChem CID55079927
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
SMILESNc1cc([N+](=O)[O-])ccc1Nc1ccccc1F
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-2-4-11(9)15-12-6-5-8(16(17)18)7-10(12)14/h1-7,15H,14H2
InChIKeyADRRDLXBIINMBZ-UHFFFAOYSA-N
XLogP3.06
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.06
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-N-(5-chloro-2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 62508111
2-(2-amino-4-nitroanilino)benzonitrile
CID 62506951
4-nitro-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 62809315
1-N-(4-fluoro-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 55079971
4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine
CID 62507468
1-N-(5-fluoro-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 55079970
1-N-(2-chloro-5-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 107526907
2-hydrazinyl-5-nitroaniline
CID 130769325
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
2-N-(4-nitrophenyl)benzene-1,2-diamine
CID 13095074
2-(2-amino-4-nitroanilino)-6-methylbenzonitrile
CID 107802726
N-(2-fluorophenyl)-2,4,6-trinitroaniline
CID 3312335

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine?
The IUPAC name of 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine (CID 55079927) is 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine is Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1F.
What is the InChIKey of 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine?
The InChIKey is ADRRDLXBIINMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-9-3-1-2-4-11(9)15-12-6-5-8(16(17)18)7-10(12)14/h1-7,15H,14H2.
What are the key properties of 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine?
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine has a molecular weight of 247.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine is sourced from PubChem (CID 55079927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).