2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone

C13H23F3N2O — CID 82249015

IUPAC2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone
SMILESCC(C)CC1CNC(C(C)C)CN1C(=O)C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-8(2)5-10-6-17-11(9(3)4)7-18(10)12(19)13(14,15)16/h8-11,17H,5-7H2,1-4H3
InChIKeyISOPWEHKAWRUQI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds3

About 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone

2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone (PubChem CID 82249015) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone
PubChem CID82249015
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone
SMILESCC(C)CC1CNC(C(C)C)CN1C(=O)C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-8(2)5-10-6-17-11(9(3)4)7-18(10)12(19)13(14,15)16/h8-11,17H,5-7H2,1-4H3
InChIKeyISOPWEHKAWRUQI-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone (CID 82249015) is 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone is CC(C)CC1CNC(C(C)C)CN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone?
The InChIKey is ISOPWEHKAWRUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-8(2)5-10-6-17-11(9(3)4)7-18(10)12(19)13(14,15)16/h8-11,17H,5-7H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone is sourced from PubChem (CID 82249015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).