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

C7H6F3N3O3 — CID 118835724

IUPAC[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine
SMILESNNc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)16-4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2
InChIKeyNCOTWDVTZWSPDK-UHFFFAOYSA-N
MW237.14 g/mol
LogP1.78
Rot. Bonds3

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

[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine (PubChem CID 118835724) has the molecular formula C7H6F3N3O3 and a molecular weight of 237.14 g/mol. Its IUPAC name is [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine
PubChem CID118835724
Molecular FormulaC7H6F3N3O3
Molecular Weight237.14 g/mol
Exact Mass237.04
IUPAC Name[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine
SMILESNNc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)16-4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2
InChIKeyNCOTWDVTZWSPDK-UHFFFAOYSA-N
XLogP1.78
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
CID 168520063
ethyl (2Z)-2-[[2-nitro-4-(trifluoromethoxy)phenyl]hydrazinylidene]propanoate
CID 59136011
ethyl 2-[[2-nitro-4-(trifluoromethoxy)phenyl]hydrazinylidene]propanoate
CID 72526048
[2-nitro-4-(trifluoromethoxy)phenyl]methanol
CID 171028713
[4-nitro-2-(trifluoromethoxy)phenyl]hydrazine
CID 118807665
2-amino-4-(trifluoromethoxy)phenol;2-nitro-4-(trifluoromethoxy)phenol
CID 159552146
2-nitro-5-(trifluoromethoxy)benzaldehyde
CID 162535108
2-nitro-5-(trifluoromethoxy)benzonitrile
CID 45073540
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
2-nitro-1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 11817469
4-hydrazinyl-3-nitrobenzenethiol
CID 130955422
2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 121234879

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine?
The IUPAC name of [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine (CID 118835724) is [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine?
The canonical SMILES for [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine is NNc1ccc(OC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine?
The InChIKey is NCOTWDVTZWSPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O3/c8-7(9,10)16-4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2.
What are the key properties of [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine?
[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine has a molecular weight of 237.14 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-4-(trifluoromethoxy)phenyl]hydrazine is sourced from PubChem (CID 118835724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).