1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid

C8H12F4N2O3 — CID 22716476

IUPAC1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1CCF
InChIInChI=1S/C6H11FN2O.C2HF3O2/c7-1-3-9-4-2-8-5-6(9)10;3-2(4,5)1(6)7/h8H,1-5H2;(H,6,7)
InChIKeyDTDVXMGCCFCSGT-UHFFFAOYSA-N
MW260.19 g/mol
LogP0.02
Rot. Bonds2

About 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid

1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 22716476) has the molecular formula C8H12F4N2O3 and a molecular weight of 260.19 g/mol. Its IUPAC name is 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID22716476
Molecular FormulaC8H12F4N2O3
Molecular Weight260.19 g/mol
Exact Mass260.08
IUPAC Name1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1CCF
InChIInChI=1S/C6H11FN2O.C2HF3O2/c7-1-3-9-4-2-8-5-6(9)10;3-2(4,5)1(6)7/h8H,1-5H2;(H,6,7)
InChIKeyDTDVXMGCCFCSGT-UHFFFAOYSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid (CID 22716476) is 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CNCCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is DTDVXMGCCFCSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O.C2HF3O2/c7-1-3-9-4-2-8-5-6(9)10;3-2(4,5)1(6)7/h8H,1-5H2;(H,6,7).
What are the key properties of 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 260.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)piperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22716476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).