[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate

C15H11F3N2O5S — CID 2100124

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C15H11F3N2O5S/c16-15(17,18)25-10-5-3-9(4-6-10)14(23)24-8-12(21)19-20-13(22)11-2-1-7-26-11/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyFZZBNTJPCGBVDJ-UHFFFAOYSA-N
MW388.32 g/mol
LogP2.26
Rot. Bonds5

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate (PubChem CID 2100124) has the molecular formula C15H11F3N2O5S and a molecular weight of 388.32 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate
PubChem CID2100124
Molecular FormulaC15H11F3N2O5S
Molecular Weight388.32 g/mol
Exact Mass388.03
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C15H11F3N2O5S/c16-15(17,18)25-10-5-3-9(4-6-10)14(23)24-8-12(21)19-20-13(22)11-2-1-7-26-11/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyFZZBNTJPCGBVDJ-UHFFFAOYSA-N
XLogP2.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate (CID 2100124) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate is O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate?
The InChIKey is FZZBNTJPCGBVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O5S/c16-15(17,18)25-10-5-3-9(4-6-10)14(23)24-8-12(21)19-20-13(22)11-2-1-7-26-11/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate has a molecular weight of 388.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethoxy)benzoate is sourced from PubChem (CID 2100124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).