[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride

C8H10ClF3N2 — CID 84820116

IUPAC[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride
SMILESCc1c(NN)cccc1C(F)(F)F.Cl
InChIInChI=1S/C8H9F3N2.ClH/c1-5-6(8(9,10)11)3-2-4-7(5)13-12;/h2-4,13H,12H2,1H3;1H
InChIKeyCOEZSYPSBKUPOU-UHFFFAOYSA-N
MW226.63 g/mol
LogP2.72
Rot. Bonds1

About [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride

[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride (PubChem CID 84820116) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride
PubChem CID84820116
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride
SMILESCc1c(NN)cccc1C(F)(F)F.Cl
InChIInChI=1S/C8H9F3N2.ClH/c1-5-6(8(9,10)11)3-2-4-7(5)13-12;/h2-4,13H,12H2,1H3;1H
InChIKeyCOEZSYPSBKUPOU-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'}

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Related Compounds

N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride
CID 69179187
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
N-[[2-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]acetamide
CID 86799382
(3-iodo-2-methylphenyl)hydrazine
CID 130164632
1-[difluoro(iodo)methyl]-2-methyl-3-(trifluoromethyl)benzene
CID 129042574
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 19704221
1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 174580283
2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119709174
2,2-dimethyl-5-[[2-methyl-3-(trifluoromethyl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168536608
(2-fluoro-3-methylphenyl)hydrazine
CID 55280946
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
The IUPAC name of [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride (CID 84820116) is [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride is Cc1c(NN)cccc1C(F)(F)F.Cl.
What is the InChIKey of [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
The InChIKey is COEZSYPSBKUPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.ClH/c1-5-6(8(9,10)11)3-2-4-7(5)13-12;/h2-4,13H,12H2,1H3;1H.
What are the key properties of [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
[2-methyl-3-(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 [2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 84820116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).