1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione

C16H11F2N3O3 — CID 122221471

IUPAC1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=C(c1ccccc1)C(F)(F)n1[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H11F2N3O3/c17-16(18,13(22)11-7-3-1-4-8-11)21-15(24)20(14(23)19-21)12-9-5-2-6-10-12/h1-10H,(H,19,23)
InChIKeyFETMQQXPTRKTAQ-UHFFFAOYSA-N
MW331.28 g/mol
LogP1.76
Rot. Bonds4

About 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione

1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 122221471) has the molecular formula C16H11F2N3O3 and a molecular weight of 331.28 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID122221471
Molecular FormulaC16H11F2N3O3
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC Name1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=C(c1ccccc1)C(F)(F)n1[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H11F2N3O3/c17-16(18,13(22)11-7-3-1-4-8-11)21-15(24)20(14(23)19-21)12-9-5-2-6-10-12/h1-10H,(H,19,23)
InChIKeyFETMQQXPTRKTAQ-UHFFFAOYSA-N
XLogP1.76
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione (CID 122221471) is 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione is O=C(c1ccccc1)C(F)(F)n1[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is FETMQQXPTRKTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3/c17-16(18,13(22)11-7-3-1-4-8-11)21-15(24)20(14(23)19-21)12-9-5-2-6-10-12/h1-10H,(H,19,23).
What are the key properties of 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 331.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-oxo-2-phenylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 122221471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).