1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one

C7H11F3N2O — CID 130430159

IUPAC1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one
SMILESC[C@H](N1CCNCC1=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-5(7(8,9)10)12-3-2-11-4-6(12)13/h5,11H,2-4H2,1H3/t5-/m0/s1
InChIKeyOGSLLIFVSWWCNU-YFKPBYRVSA-N
MW196.17 g/mol
LogP0.37
Rot. Bonds1

About 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one

1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one (PubChem CID 130430159) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one
PubChem CID130430159
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one
SMILESC[C@H](N1CCNCC1=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-5(7(8,9)10)12-3-2-11-4-6(12)13/h5,11H,2-4H2,1H3/t5-/m0/s1
InChIKeyOGSLLIFVSWWCNU-YFKPBYRVSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one?
The IUPAC name of 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one (CID 130430159) is 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one.
What is the SMILES notation for 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one?
The canonical SMILES for 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one is C[C@H](N1CCNCC1=O)C(F)(F)F.
What is the InChIKey of 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one?
The InChIKey is OGSLLIFVSWWCNU-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-5(7(8,9)10)12-3-2-11-4-6(12)13/h5,11H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one?
1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one has a molecular weight of 196.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one is sourced from PubChem (CID 130430159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).