4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide

C12H10F6N2O2 — CID 130277544

IUPAC4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide
SMILESCC(F)C(F)(F)C(=O)c1ccc(C(=O)NN)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F6N2O2/c1-5(13)11(14,15)9(21)6-2-3-7(10(22)20-19)8(4-6)12(16,17)18/h2-5H,19H2,1H3,(H,20,22)
InChIKeyYJSWXAZSEJPEPI-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.48
Rot. Bonds4

About 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide

4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide (PubChem CID 130277544) has the molecular formula C12H10F6N2O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide
PubChem CID130277544
Molecular FormulaC12H10F6N2O2
Molecular Weight328.21 g/mol
Exact Mass328.06
IUPAC Name4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide
SMILESCC(F)C(F)(F)C(=O)c1ccc(C(=O)NN)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F6N2O2/c1-5(13)11(14,15)9(21)6-2-3-7(10(22)20-19)8(4-6)12(16,17)18/h2-5H,19H2,1H3,(H,20,22)
InChIKeyYJSWXAZSEJPEPI-UHFFFAOYSA-N
XLogP2.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(trifluoromethyl)benzohydrazide
CID 58139383
4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 130257894
4-(propoxycarbamoyl)-3-(trifluoromethyl)benzoic acid
CID 167943337
4-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-(trifluoromethyl)benzamide
CID 103925342
4-[1-(1-methylpyrrol-3-yl)ethylcarbamoyl]-3-(trifluoromethyl)benzoic acid
CID 167817555
4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62241747
4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide
CID 155928693
4-amino-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62155637
4-[[(2R,3S)-2,3-dimethylcyclopropyl]carbamoyl]-3-(trifluoromethyl)benzoic acid
CID 167862856
4-bromo-N-(3-oxopentan-2-yl)-2-(trifluoromethyl)benzamide
CID 107332844
4-fluoro-N-(1-iodo-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 107859911
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107332820

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide (CID 130277544) is 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide is CC(F)C(F)(F)C(=O)c1ccc(C(=O)NN)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide?
The InChIKey is YJSWXAZSEJPEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2O2/c1-5(13)11(14,15)9(21)6-2-3-7(10(22)20-19)8(4-6)12(16,17)18/h2-5H,19H2,1H3,(H,20,22).
What are the key properties of 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide?
4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide has a molecular weight of 328.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 130277544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).