2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline

C12HF8N3O4 — CID 10927558

IUPAC2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline
SMILESO=[N+]([O-])c1c(F)c(F)c(Nc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)c(F)c1F
InChIInChI=1S/C12HF8N3O4/c13-1-5(17)11(22(24)25)6(18)2(14)9(1)21-10-3(15)7(19)12(23(26)27)8(20)4(10)16/h21H
InChIKeyWOBDRGMXUVYFEN-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.36
Rot. Bonds4

About 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline

2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline (PubChem CID 10927558) has the molecular formula C12HF8N3O4 and a molecular weight of 403.14 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline
PubChem CID10927558
Molecular FormulaC12HF8N3O4
Molecular Weight403.14 g/mol
Exact Mass402.98
IUPAC Name2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline
SMILESO=[N+]([O-])c1c(F)c(F)c(Nc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)c(F)c1F
InChIInChI=1S/C12HF8N3O4/c13-1-5(17)11(22(24)25)6(18)2(14)9(1)21-10-3(15)7(19)12(23(26)27)8(20)4(10)16/h21H
InChIKeyWOBDRGMXUVYFEN-UHFFFAOYSA-N
XLogP4.36
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
CID 23234800
5,7-dimethyl-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-amine
CID 172869441
N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride
CID 135378900
1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene
CID 4261372
1,3,5-trifluoro-2-methyl-4,6-dinitrobenzene
CID 53429897
1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 23234795
1-N,3-N-ditert-butyl-5-fluoro-2,4,6-trinitrobenzene-1,3-diamine
CID 15142099
2,6-dichloro-3,5-difluoro-4-nitrophenol
CID 14405001
1,3-difluoro-5-methoxy-2,4,6-trinitrobenzene
CID 156781036
1,2,4,5-tetrafluoro-3-(4-methylphenyl)-6-nitrobenzene
CID 125484736
1-tert-butyl-2,3,5-trifluoro-6-methyl-4-nitrobenzene
CID 167696751
N-(3-acetamido-5-fluoro-2,4,6-trinitrophenyl)acetamide
CID 12577939

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline (CID 10927558) is 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline is O=[N+]([O-])c1c(F)c(F)c(Nc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline?
The InChIKey is WOBDRGMXUVYFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF8N3O4/c13-1-5(17)11(22(24)25)6(18)2(14)9(1)21-10-3(15)7(19)12(23(26)27)8(20)4(10)16/h21H.
What are the key properties of 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline?
2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline has a molecular weight of 403.14 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline is sourced from PubChem (CID 10927558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).