3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline

C12H6Cl2F2N2O2 — CID 107576838

IUPAC3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2cc(Cl)c(F)c(Cl)c2)c1
InChIInChI=1S/C12H6Cl2F2N2O2/c13-10-4-8(5-11(14)12(10)16)17-7-1-6(15)2-9(3-7)18(19)20/h1-5,17H
InChIKeyUDKFQXYUAACIFJ-UHFFFAOYSA-N
MW319.09 g/mol
LogP4.92
Rot. Bonds3

About 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline

3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline (PubChem CID 107576838) has the molecular formula C12H6Cl2F2N2O2 and a molecular weight of 319.09 g/mol. Its IUPAC name is 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
PubChem CID107576838
Molecular FormulaC12H6Cl2F2N2O2
Molecular Weight319.09 g/mol
Exact Mass317.98
IUPAC Name3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2cc(Cl)c(F)c(Cl)c2)c1
InChIInChI=1S/C12H6Cl2F2N2O2/c13-10-4-8(5-11(14)12(10)16)17-7-1-6(15)2-9(3-7)18(19)20/h1-5,17H
InChIKeyUDKFQXYUAACIFJ-UHFFFAOYSA-N
XLogP4.92
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.09
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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

N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 80752174
2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107645553
N-(3,5-dimethoxyphenyl)-3-fluoro-5-nitroaniline
CID 80752662
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-[(2,6-dichlorophenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334655
4-chloro-2-(3-fluoro-5-nitroanilino)benzonitrile
CID 80748231
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334707
3-N-(4-chloro-3-fluorophenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80804203
N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
CID 80753070

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline?
The IUPAC name of 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline (CID 107576838) is 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline.
What is the SMILES notation for 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline?
The canonical SMILES for 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline is O=[N+]([O-])c1cc(F)cc(Nc2cc(Cl)c(F)c(Cl)c2)c1.
What is the InChIKey of 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline?
The InChIKey is UDKFQXYUAACIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2N2O2/c13-10-4-8(5-11(14)12(10)16)17-7-1-6(15)2-9(3-7)18(19)20/h1-5,17H.
What are the key properties of 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline?
3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline has a molecular weight of 319.09 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline is sourced from PubChem (CID 107576838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).