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

C11H8F4N2O2 — CID 64955693

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2cc(C(F)(F)F)ccc2F)C(=O)CN1
InChIInChI=1S/C11H8F4N2O2/c12-7-2-1-6(11(13,14)15)3-8(7)17-5-9(18)16-4-10(17)19/h1-3H,4-5H2,(H,16,18)
InChIKeyAIVOQGBYGTVHRX-UHFFFAOYSA-N
MW276.19 g/mol
LogP1.31
Rot. Bonds1

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

1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione (PubChem CID 64955693) has the molecular formula C11H8F4N2O2 and a molecular weight of 276.19 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione
PubChem CID64955693
Molecular FormulaC11H8F4N2O2
Molecular Weight276.19 g/mol
Exact Mass276.05
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2cc(C(F)(F)F)ccc2F)C(=O)CN1
InChIInChI=1S/C11H8F4N2O2/c12-7-2-1-6(11(13,14)15)3-8(7)17-5-9(18)16-4-10(17)19/h1-3H,4-5H2,(H,16,18)
InChIKeyAIVOQGBYGTVHRX-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione (CID 64955693) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione is O=C1CN(c2cc(C(F)(F)F)ccc2F)C(=O)CN1.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The InChIKey is AIVOQGBYGTVHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O2/c12-7-2-1-6(11(13,14)15)3-8(7)17-5-9(18)16-4-10(17)19/h1-3H,4-5H2,(H,16,18).
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione?
1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione has a molecular weight of 276.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 64955693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).