2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C9H15F3N2O — CID 62727304

IUPAC2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-7(2)13-3-5-14(6-4-13)8(15)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyIJOTVJDNCODNKU-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.10
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 62727304) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID62727304
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-7(2)13-3-5-14(6-4-13)8(15)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyIJOTVJDNCODNKU-UHFFFAOYSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 62727304) is 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IJOTVJDNCODNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(2)13-3-5-14(6-4-13)8(15)9(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 224.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62727304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).