2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

C11H15F3N2O3 — CID 60707937

IUPAC2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(C1CCCO1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(18)16-5-3-15(4-6-16)9(17)8-2-1-7-19-8/h8H,1-7H2
InChIKeyQWYYDFNCNMGADY-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.40
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 60707937) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID60707937
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(C1CCCO1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(18)16-5-3-15(4-6-16)9(17)8-2-1-7-19-8/h8H,1-7H2
InChIKeyQWYYDFNCNMGADY-UHFFFAOYSA-N
XLogP0.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (CID 60707937) is 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is O=C(C1CCCO1)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is QWYYDFNCNMGADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)10(18)16-5-3-15(4-6-16)9(17)8-2-1-7-19-8/h8H,1-7H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 280.25 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60707937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).