2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline

C12H5F5N2O2 — CID 107645553

IUPAC2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H5F5N2O2/c13-5-1-6(3-7(2-5)19(20)21)18-12-10(16)8(14)4-9(15)11(12)17/h1-4,18H
InChIKeyDOZFOBJFMGLQNG-UHFFFAOYSA-N
MW304.17 g/mol
LogP4.03
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline

2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline (PubChem CID 107645553) has the molecular formula C12H5F5N2O2 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
PubChem CID107645553
Molecular FormulaC12H5F5N2O2
Molecular Weight304.17 g/mol
Exact Mass304.03
IUPAC Name2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H5F5N2O2/c13-5-1-6(3-7(2-5)19(20)21)18-12-10(16)8(14)4-9(15)11(12)17/h1-4,18H
InChIKeyDOZFOBJFMGLQNG-UHFFFAOYSA-N
XLogP4.03
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107576838
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylaniline
CID 80751738
2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 83075238
N-(3,5-dimethoxyphenyl)-3-fluoro-5-nitroaniline
CID 80752662
5-nitro-3-N-(3,4,5-trifluorophenyl)benzene-1,3-diamine
CID 80824941
3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 80752174
4-chloro-2-(3-fluoro-5-nitroanilino)benzonitrile
CID 80748231
N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
CID 80753070
3-fluoro-5-nitro-N-pentan-3-ylaniline
CID 60875735
N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779709

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline (CID 107645553) is 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline is O=[N+]([O-])c1cc(F)cc(Nc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline?
The InChIKey is DOZFOBJFMGLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5N2O2/c13-5-1-6(3-7(2-5)19(20)21)18-12-10(16)8(14)4-9(15)11(12)17/h1-4,18H.
What are the key properties of 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline?
2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline has a molecular weight of 304.17 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline is sourced from PubChem (CID 107645553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).