3-fluoro-N-(4-fluorophenyl)-5-nitroaniline

C12H8F2N2O2 — CID 80752071

IUPAC3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C12H8F2N2O2/c13-8-1-3-10(4-2-8)15-11-5-9(14)6-12(7-11)16(17)18/h1-7,15H
InChIKeyYPUOKCUYHPMXOO-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.62
Rot. Bonds3

About 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline

3-fluoro-N-(4-fluorophenyl)-5-nitroaniline (PubChem CID 80752071) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline.

Molecular Properties

Compound Name3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
PubChem CID80752071
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C12H8F2N2O2/c13-8-1-3-10(4-2-8)15-11-5-9(14)6-12(7-11)16(17)18/h1-7,15H
InChIKeyYPUOKCUYHPMXOO-UHFFFAOYSA-N
XLogP3.62
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 53.62
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'}

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Related Compounds

4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylaniline
CID 80751738
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
N-(3,5-dimethoxyphenyl)-3-fluoro-5-nitroaniline
CID 80752662
3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107576838
2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107645553
N-(3-fluoro-5-nitrophenyl)quinolin-6-amine
CID 80751767
N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-3-fluoro-5-nitroaniline
CID 155696945
3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 80752174
N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
CID 80753070
N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779709
3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline
CID 80752800
5-bromo-N-(3-fluoro-5-nitrophenyl)-2-methylaniline
CID 80752415

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline?
The IUPAC name of 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline (CID 80752071) is 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline.
What is the SMILES notation for 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline?
The canonical SMILES for 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline is O=[N+]([O-])c1cc(F)cc(Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline?
The InChIKey is YPUOKCUYHPMXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-8-1-3-10(4-2-8)15-11-5-9(14)6-12(7-11)16(17)18/h1-7,15H.
What are the key properties of 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline?
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline has a molecular weight of 250.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluorophenyl)-5-nitroaniline is sourced from PubChem (CID 80752071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).