[2-nitro-4-(trifluoromethyl)phenyl]hydrazine

C7H6F3N3O2 — CID 3838097

IUPAC[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
SMILESNNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2
InChIKeyWJBJSMUUWDXKBR-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.90
Rot. Bonds2

About [2-nitro-4-(trifluoromethyl)phenyl]hydrazine

[2-nitro-4-(trifluoromethyl)phenyl]hydrazine (PubChem CID 3838097) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is [2-nitro-4-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
PubChem CID3838097
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
SMILESNNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2
InChIKeyWJBJSMUUWDXKBR-UHFFFAOYSA-N
XLogP1.90
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-Methyl-2-nitroaniline
CID 6978
6-Nitro-m-toluidine
CID 11356
Benzenamine, 2-nitro-4-(trifluoromethyl)-
CID 67865
(2-Nitrophenyl)hydrazine
CID 3314739
2,6-Dinitro-4-(trifluoromethyl)aniline
CID 9936
1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-
CID 5066063
2-Nitro-3-(trifluoromethyl)aniline
CID 223086
3-Amino-4-nitrobenzotrifluoride
CID 223100
Propanedinitrile, ((4-methyl-2-nitrophenyl)hydrazono)-
CID 116660
4-Amino-3-nitrobenzonitrile
CID 595901
Benzenamine, 4-butyl-2-nitro-
CID 77229
1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]hydrazine
CID 3755830

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-4-(trifluoromethyl)phenyl]hydrazine (CID 3838097) is [2-nitro-4-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-4-(trifluoromethyl)phenyl]hydrazine is NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is WJBJSMUUWDXKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2.
What are the key properties of [2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
[2-nitro-4-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 221.14 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-4-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 3838097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).