[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride

C8H10ClF3N2 — CID 69179187

IUPAC[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride
SMILESCc1ccc(C(F)(F)F)c(NN)c1.Cl
InChIInChI=1S/C8H9F3N2.ClH/c1-5-2-3-6(8(9,10)11)7(4-5)13-12;/h2-4,13H,12H2,1H3;1H
InChIKeyZOSRBUGLEBWEIQ-UHFFFAOYSA-N
MW226.63 g/mol
LogP2.72
Rot. Bonds1

About [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride

[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride (PubChem CID 69179187) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride
PubChem CID69179187
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride
SMILESCc1ccc(C(F)(F)F)c(NN)c1.Cl
InChIInChI=1S/C8H9F3N2.ClH/c1-5-2-3-6(8(9,10)11)7(4-5)13-12;/h2-4,13H,12H2,1H3;1H
InChIKeyZOSRBUGLEBWEIQ-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride 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

[5-methyl-2-(trifluoromethyl)phenyl]thiourea
CID 86633158
3-hydrazinyl-4-(trifluoromethyl)benzenethiol
CID 131096464
[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride
CID 84820116
3-[5-methyl-2-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593240
(2-bromo-5-methylphenyl)hydrazine
CID 12891837
2-hydrazinyl-N,5-dimethylaniline
CID 149056718
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
(2-fluoro-5-methylphenyl)hydrazine;formaldehyde
CID 143073558
2-hydrazinyl-5-methylaniline
CID 89276855
methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde
CID 143801247
5-methyl-2-(trifluoromethyl)benzenesulfinate
CID 174375406
[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine
CID 156702121

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
The IUPAC name of [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride (CID 69179187) is [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride is Cc1ccc(C(F)(F)F)c(NN)c1.Cl.
What is the InChIKey of [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
The InChIKey is ZOSRBUGLEBWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.ClH/c1-5-2-3-6(8(9,10)11)7(4-5)13-12;/h2-4,13H,12H2,1H3;1H.
What are the key properties of [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride has a molecular weight of 226.63 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 69179187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).