(2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

C10H12F6N2O5 — CID 174714339

IUPAC(2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESO=C(COC(=O)C(F)(F)F)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3.C2HF3O2/c9-8(10,11)7(15)16-5-6(14)13-3-1-12-2-4-13;3-2(4,5)1(6)7/h12H,1-5H2;(H,6,7)
InChIKeyCVINNCHIHWRNGK-UHFFFAOYSA-N
MW354.20 g/mol
LogP0.16
Rot. Bonds2

About (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

(2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (PubChem CID 174714339) has the molecular formula C10H12F6N2O5 and a molecular weight of 354.20 g/mol. Its IUPAC name is (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
PubChem CID174714339
Molecular FormulaC10H12F6N2O5
Molecular Weight354.20 g/mol
Exact Mass354.07
IUPAC Name(2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESO=C(COC(=O)C(F)(F)F)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3.C2HF3O2/c9-8(10,11)7(15)16-5-6(14)13-3-1-12-2-4-13;3-2(4,5)1(6)7/h12H,1-5H2;(H,6,7)
InChIKeyCVINNCHIHWRNGK-UHFFFAOYSA-N
XLogP0.16
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The IUPAC name of (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (CID 174714339) is (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is O=C(COC(=O)C(F)(F)F)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The InChIKey is CVINNCHIHWRNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3.C2HF3O2/c9-8(10,11)7(15)16-5-6(14)13-3-1-12-2-4-13;3-2(4,5)1(6)7/h12H,1-5H2;(H,6,7).
What are the key properties of (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
(2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid has a molecular weight of 354.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174714339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).