2,4-difluoro-6-nitroaniline

C6H4F2N2O2 — CID 9697

IUPAC2,4-difluoro-6-nitroaniline
SMILESNc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4F2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
InChIKeyWPEUQAOOZXFRKZ-UHFFFAOYSA-N
MW174.11 g/mol
LogP1.46
Rot. Bonds1

About 2,4-difluoro-6-nitroaniline

2,4-difluoro-6-nitroaniline (PubChem CID 9697) has the molecular formula C6H4F2N2O2 and a molecular weight of 174.11 g/mol. Its IUPAC name is 2,4-difluoro-6-nitroaniline.

Molecular Properties

Compound Name2,4-difluoro-6-nitroaniline
PubChem CID9697
Molecular FormulaC6H4F2N2O2
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name2,4-difluoro-6-nitroaniline
SMILESNc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4F2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
InChIKeyWPEUQAOOZXFRKZ-UHFFFAOYSA-N
XLogP1.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 51.46
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'}

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Related Compounds

4-Nitroaniline
CID 7475
1,2-Dinitrobenzene
CID 10707
2-Nitro-4-phenylenediamine
CID 4338370
4-Nitro-1,2-phenylenediamine
CID 5111791
2,4-Dinitroaniline
CID 7321
2-Nitroaniline
CID 6946
p-Fluoronitrobenzene
CID 9590
4-Nitro-1,3-benzenediamine
CID 21208
2,4-Difluoronitrobenzene
CID 67967
4-Fluoro-3-nitroaniline
CID 67768
2,6-Dinitroaniline
CID 69070
(2-Nitrophenyl)hydrazine
CID 3314739

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-nitroaniline?
The IUPAC name of 2,4-difluoro-6-nitroaniline (CID 9697) is 2,4-difluoro-6-nitroaniline.
What is the SMILES notation for 2,4-difluoro-6-nitroaniline?
The canonical SMILES for 2,4-difluoro-6-nitroaniline is Nc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2,4-difluoro-6-nitroaniline?
The InChIKey is WPEUQAOOZXFRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2.
What are the key properties of 2,4-difluoro-6-nitroaniline?
2,4-difluoro-6-nitroaniline has a molecular weight of 174.11 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-nitroaniline is sourced from PubChem (CID 9697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).