(2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate

C6H7F3N2O3 — CID 67358101

IUPAC(2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C1CNCCN1OC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O3/c7-6(8,9)5(13)14-11-2-1-10-3-4(11)12/h10H,1-3H2
InChIKeyCRCXRUSJARJPJB-UHFFFAOYSA-N
MW212.13 g/mol
LogP-0.56
Rot. Bonds1

About (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate

(2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 67358101) has the molecular formula C6H7F3N2O3 and a molecular weight of 212.13 g/mol. Its IUPAC name is (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate
PubChem CID67358101
Molecular FormulaC6H7F3N2O3
Molecular Weight212.13 g/mol
Exact Mass212.04
IUPAC Name(2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C1CNCCN1OC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O3/c7-6(8,9)5(13)14-11-2-1-10-3-4(11)12/h10H,1-3H2
InChIKeyCRCXRUSJARJPJB-UHFFFAOYSA-N
XLogP-0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate (CID 67358101) is (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate is O=C1CNCCN1OC(=O)C(F)(F)F.
What is the InChIKey of (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is CRCXRUSJARJPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O3/c7-6(8,9)5(13)14-11-2-1-10-3-4(11)12/h10H,1-3H2.
What are the key properties of (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate?
(2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 212.13 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopiperazin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 67358101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).