[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine

C7H5F3N4O4 — CID 3755830

IUPAC[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine
SMILESNNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N4O4/c8-7(9,10)3-1-4(13(15)16)6(12-11)5(2-3)14(17)18/h1-2,12H,11H2
InChIKeyONKIRGVIGHJYHR-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.81
Rot. Bonds3

About [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine

[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine (PubChem CID 3755830) has the molecular formula C7H5F3N4O4 and a molecular weight of 266.13 g/mol. Its IUPAC name is [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine
PubChem CID3755830
Molecular FormulaC7H5F3N4O4
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine
SMILESNNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N4O4/c8-7(9,10)3-1-4(13(15)16)6(12-11)5(2-3)14(17)18/h1-2,12H,11H2
InChIKeyONKIRGVIGHJYHR-UHFFFAOYSA-N
XLogP1.81
TPSA124.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

Benzenamine, 2-nitro-4-(trifluoromethyl)-
CID 67865
4-Methyl-2,6-dinitroaniline
CID 22892
2,6-Dinitro-4-(trifluoromethyl)aniline
CID 9936
1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-
CID 5066063
3-Amino-4-nitrobenzotrifluoride
CID 223100
2-cyano-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 5112429
2-Propanone, hexafluoro-, 2-(2,6-dinitro-4-(trifluoromethyl)phenyl)hydrazone
CID 3070772
[2-Nitro-4-(trifluoromethyl)phenyl]hydrazine
CID 3838097
N-(4-methylpent-3-en-2-ylideneamino)-2,6-dinitro-4-(trifluoromethyl)aniline
CID 2803906
N-(cyclohexylideneamino)-2,6-dinitro-4-(trifluoromethyl)aniline
CID 310267
3,4,5-Trinitrotoluene
CID 69044
2,4-Dinitro-6-(trifluoromethyl)aniline
CID 12901591

Frequently Asked Questions

What is the IUPAC name of [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine (CID 3755830) is [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine is NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is ONKIRGVIGHJYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O4/c8-7(9,10)3-1-4(13(15)16)6(12-11)5(2-3)14(17)18/h1-2,12H,11H2.
What are the key properties of [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine?
[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 266.13 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 3755830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).