[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate

C17H12F4N2O4 — CID 7838830

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H12F4N2O4/c18-13-7-2-1-6-12(13)15(25)23-22-14(24)9-27-16(26)10-4-3-5-11(8-10)17(19,20)21/h1-8H,9H2,(H,22,24)(H,23,25)
InChIKeyTVZLBPOLFNBYDR-UHFFFAOYSA-N
MW384.29 g/mol
LogP2.46
Rot. Bonds4

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate (PubChem CID 7838830) has the molecular formula C17H12F4N2O4 and a molecular weight of 384.29 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
PubChem CID7838830
Molecular FormulaC17H12F4N2O4
Molecular Weight384.29 g/mol
Exact Mass384.07
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H12F4N2O4/c18-13-7-2-1-6-12(13)15(25)23-22-14(24)9-27-16(26)10-4-3-5-11(8-10)17(19,20)21/h1-8H,9H2,(H,22,24)(H,23,25)
InChIKeyTVZLBPOLFNBYDR-UHFFFAOYSA-N
XLogP2.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate (CID 7838830) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate is O=C(COC(=O)c1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The InChIKey is TVZLBPOLFNBYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O4/c18-13-7-2-1-6-12(13)15(25)23-22-14(24)9-27-16(26)10-4-3-5-11(8-10)17(19,20)21/h1-8H,9H2,(H,22,24)(H,23,25).
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate has a molecular weight of 384.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 7838830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).