Trifluoro-methyl p-tolyl ketone hydrazone

C9H9F3N2 — CID 129813900

IUPAC[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydrazine
SMILESCC1=CC=C(C=C1)C(=NN)C(F)(F)F
InChIInChI=1S/C9H9F3N2/c1-6-2-4-7(5-3-6)8(14-13)9(10,11)12/h2-5H,13H2,1H3
InChIKeyWXKHFNGJJABJAU-UHFFFAOYSA-N
MW202.18 g/mol
LogP3.00
Rot. Bonds1

About Trifluoro-methyl p-tolyl ketone hydrazone

Trifluoro-methyl p-tolyl ketone hydrazone (PubChem CID 129813900) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydrazine.

Molecular Properties

Compound NameTrifluoro-methyl p-tolyl ketone hydrazone
PubChem CID129813900
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydrazine
SMILESCC1=CC=C(C=C1)C(=NN)C(F)(F)F
InChIInChI=1S/C9H9F3N2/c1-6-2-4-7(5-3-6)8(14-13)9(10,11)12/h2-5H,13H2,1H3
InChIKeyWXKHFNGJJABJAU-UHFFFAOYSA-N
XLogP3.00
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity215

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Diphenylmethylidenehydrazine
CID 79304
Diphenylethanedione dihydrazone
CID 5356523
2-[(E)-1-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
CID 9573034
2-[[(4-Fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 29893
2-[1-(4-Methylphenyl)ethylideneamino]guanidine
CID 2831841
1-(4-Fluorophenyl)ethanone [1-(4-fluorophenyl)ethylidene]hydrazone
CID 5394703
4-Methylacetophenone azine
CID 9575479
Guanidine, ((p-fluoro-alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzylidene)amino)-
CID 5475188
Methanone, diphenyl-, hydrazone, monohydrobromide
CID 3074632
Benzophenone guanylhydrazone, 4-fluoro-4'-trifluoromethyl-, hydrochloride
CID 9570354
1,2-Diphenylethane-1,2-dione dihydrazone
CID 96211
2,2,2-Trifluoro-1-phenylethan-1-imine
CID 12219781

Frequently Asked Questions

What is the IUPAC name of Trifluoro-methyl p-tolyl ketone hydrazone?
The IUPAC name of Trifluoro-methyl p-tolyl ketone hydrazone (CID 129813900) is [2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydrazine.
What is the SMILES notation for Trifluoro-methyl p-tolyl ketone hydrazone?
The canonical SMILES for Trifluoro-methyl p-tolyl ketone hydrazone is CC1=CC=C(C=C1)C(=NN)C(F)(F)F.
What is the InChIKey of Trifluoro-methyl p-tolyl ketone hydrazone?
The InChIKey is WXKHFNGJJABJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-6-2-4-7(5-3-6)8(14-13)9(10,11)12/h2-5H,13H2,1H3.
What are the key properties of Trifluoro-methyl p-tolyl ketone hydrazone?
Trifluoro-methyl p-tolyl ketone hydrazone has a molecular weight of 202.18 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Trifluoro-methyl p-tolyl ketone hydrazone is sourced from PubChem (CID 129813900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).