2,4-dinitro-6-(trifluoromethyl)benzenediazonium

C7H2F3N4O4+ — CID 56974236

IUPAC2,4-dinitro-6-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C7H2F3N4O4/c8-7(9,10)4-1-3(13(15)16)2-5(14(17)18)6(4)12-11/h1-2H/q+1
InChIKeyOYXLXGJLFMYQJQ-UHFFFAOYSA-N
MW263.11 g/mol
LogP3.01
Rot. Bonds2

About 2,4-dinitro-6-(trifluoromethyl)benzenediazonium

2,4-dinitro-6-(trifluoromethyl)benzenediazonium (PubChem CID 56974236) has the molecular formula C7H2F3N4O4+ and a molecular weight of 263.11 g/mol. Its IUPAC name is 2,4-dinitro-6-(trifluoromethyl)benzenediazonium.

Molecular Properties

Compound Name2,4-dinitro-6-(trifluoromethyl)benzenediazonium
PubChem CID56974236
Molecular FormulaC7H2F3N4O4+
Molecular Weight263.11 g/mol
Exact Mass263.00
IUPAC Name2,4-dinitro-6-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C7H2F3N4O4/c8-7(9,10)4-1-3(13(15)16)2-5(14(17)18)6(4)12-11/h1-2H/q+1
InChIKeyOYXLXGJLFMYQJQ-UHFFFAOYSA-N
XLogP3.01
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', '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

2-fluoro-5-nitro-3-(trifluoromethyl)aniline
CID 131317889
N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-1,1,1-trifluoromethanesulfonamide
CID 59046680
1-[2,4-dinitro-6-(trifluoromethyl)phenyl]piperidin-4-one
CID 11956040
2-bromo-5-nitro-3-(trifluoromethyl)benzonitrile
CID 171000342
2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline
CID 153338634
2-amino-5-nitro-3-(trifluoromethyl)benzenesulfonic acid
CID 23216665
1-tert-butyl-3,5-dinitro-2-(1,1,2,2-tetrafluoropropyl)benzene
CID 173451460
4-nitro-2,5-bis(trifluoromethyl)aniline
CID 121234795
2-chloro-1-methyl-5-nitro-3-(trifluoromethyl)benzene
CID 13489933
1-bromo-2-methyl-5-nitro-3-(trifluoromethyl)benzene
CID 58563490
N-methyl-N-(4-methylphenyl)-2,4-dinitro-6-(trifluoromethyl)aniline
CID 13003468
4-[N-methyl-2,4-dinitro-6-(trifluoromethyl)anilino]benzonitrile
CID 13218719

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-6-(trifluoromethyl)benzenediazonium?
The IUPAC name of 2,4-dinitro-6-(trifluoromethyl)benzenediazonium (CID 56974236) is 2,4-dinitro-6-(trifluoromethyl)benzenediazonium.
What is the SMILES notation for 2,4-dinitro-6-(trifluoromethyl)benzenediazonium?
The canonical SMILES for 2,4-dinitro-6-(trifluoromethyl)benzenediazonium is N#[N+]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 2,4-dinitro-6-(trifluoromethyl)benzenediazonium?
The InChIKey is OYXLXGJLFMYQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3N4O4/c8-7(9,10)4-1-3(13(15)16)2-5(14(17)18)6(4)12-11/h1-2H/q+1.
What are the key properties of 2,4-dinitro-6-(trifluoromethyl)benzenediazonium?
2,4-dinitro-6-(trifluoromethyl)benzenediazonium has a molecular weight of 263.11 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-6-(trifluoromethyl)benzenediazonium is sourced from PubChem (CID 56974236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).