1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione

C11H9F3N2O2 — CID 64955519

IUPAC1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccccc2C(F)(F)F)C(=O)CN1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-2-4-8(7)16-6-9(17)15-5-10(16)18/h1-4H,5-6H2,(H,15,17)
InChIKeyMNQRRWIOLRMECG-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.17
Rot. Bonds1

About 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione

1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione (PubChem CID 64955519) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
PubChem CID64955519
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccccc2C(F)(F)F)C(=O)CN1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-2-4-8(7)16-6-9(17)15-5-10(16)18/h1-4H,5-6H2,(H,15,17)
InChIKeyMNQRRWIOLRMECG-UHFFFAOYSA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione (CID 64955519) is 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione is O=C1CN(c2ccccc2C(F)(F)F)C(=O)CN1.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The InChIKey is MNQRRWIOLRMECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-2-4-8(7)16-6-9(17)15-5-10(16)18/h1-4H,5-6H2,(H,15,17).
What are the key properties of 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione?
1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione has a molecular weight of 258.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 64955519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).