N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

C9H8F3N3O3 — CID 3124560

IUPACN'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8F3N3O3/c1-5(16)13-14-7-3-2-6(9(10,11)12)4-8(7)15(17)18/h2-4,14H,1H3,(H,13,16)
InChIKeyHGFPZZHYJCKJAW-UHFFFAOYSA-N
MW263.18 g/mol
LogP2.08
Rot. Bonds3

About N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 3124560) has the molecular formula C9H8F3N3O3 and a molecular weight of 263.18 g/mol. Its IUPAC name is N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID3124560
Molecular FormulaC9H8F3N3O3
Molecular Weight263.18 g/mol
Exact Mass263.05
IUPAC NameN'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8F3N3O3/c1-5(16)13-14-7-3-2-6(9(10,11)12)4-8(7)15(17)18/h2-4,14H,1H3,(H,13,16)
InChIKeyHGFPZZHYJCKJAW-UHFFFAOYSA-N
XLogP2.08
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide 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'-[2,6-dinitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 5112429
Acetic acid, 2-(o-nitrophenyl)hydrazide
CID 3781984
[2-Nitro-4-(trifluoromethyl)phenyl]hydrazine
CID 3838097
N-[(E)-3-methylbutan-2-ylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 9659925
(4-Methyl-2-nitrophenyl)hydrazine
CID 3814016
N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 2797562
1,2-Bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
CID 3376313
(1Z)-2-amino-N-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethanimidoyl cyanide
CID 5713709
5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 155560907
2,2,2-trifluoro-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 3124561
N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 3098811
Tert-butyl 2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinecarboxylate
CID 3697621

Frequently Asked Questions

What is the IUPAC name of N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (CID 3124560) is N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide is CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is HGFPZZHYJCKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3/c1-5(16)13-14-7-3-2-6(9(10,11)12)4-8(7)15(17)18/h2-4,14H,1H3,(H,13,16).
What are the key properties of N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 263.18 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 3124560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).