ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate

C12H11F3N2O4 — CID 46743048

IUPACethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate
SMILESCCOC(=O)C(=O)NNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O4/c1-2-21-11(20)10(19)17-16-9(18)7-5-3-4-6-8(7)12(13,14)15/h3-6H,2H2,1H3,(H,16,18)(H,17,19)
InChIKeyXPQNSWOVJVCLRF-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.03
Rot. Bonds2

About ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate

ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate (PubChem CID 46743048) has the molecular formula C12H11F3N2O4 and a molecular weight of 304.22 g/mol. Its IUPAC name is ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate
PubChem CID46743048
Molecular FormulaC12H11F3N2O4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Nameethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate
SMILESCCOC(=O)C(=O)NNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O4/c1-2-21-11(20)10(19)17-16-9(18)7-5-3-4-6-8(7)12(13,14)15/h3-6H,2H2,1H3,(H,16,18)(H,17,19)
InChIKeyXPQNSWOVJVCLRF-UHFFFAOYSA-N
XLogP1.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate?
The IUPAC name of ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate (CID 46743048) is ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate?
The canonical SMILES for ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate is CCOC(=O)C(=O)NNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate?
The InChIKey is XPQNSWOVJVCLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4/c1-2-21-11(20)10(19)17-16-9(18)7-5-3-4-6-8(7)12(13,14)15/h3-6H,2H2,1H3,(H,16,18)(H,17,19).
What are the key properties of ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate?
ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate has a molecular weight of 304.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[2-[2-(trifluoromethyl)benzoyl]hydrazinyl]acetate is sourced from PubChem (CID 46743048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).