2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone

C9H10F6N2O2 — CID 22507587

IUPAC2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone
SMILESCC1CN(C(=O)C(F)(F)F)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H10F6N2O2/c1-5-4-16(6(18)8(10,11)12)2-3-17(5)7(19)9(13,14)15/h5H,2-4H2,1H3
InChIKeyXJTYIEYKFYWRER-UHFFFAOYSA-N
MW292.18 g/mol
LogP1.17
Rot. Bonds

About 2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone (PubChem CID 22507587) has the molecular formula C9H10F6N2O2 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone
PubChem CID22507587
Molecular FormulaC9H10F6N2O2
Molecular Weight292.18 g/mol
Exact Mass292.06
IUPAC Name2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone
SMILESCC1CN(C(=O)C(F)(F)F)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H10F6N2O2/c1-5-4-16(6(18)8(10,11)12)2-3-17(5)7(19)9(13,14)15/h5H,2-4H2,1H3
InChIKeyXJTYIEYKFYWRER-UHFFFAOYSA-N
XLogP1.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 51.17
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-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone (CID 22507587) is 2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone is CC1CN(C(=O)C(F)(F)F)CCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone?
The InChIKey is XJTYIEYKFYWRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N2O2/c1-5-4-16(6(18)8(10,11)12)2-3-17(5)7(19)9(13,14)15/h5H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone has a molecular weight of 292.18 g/mol, XLogP of 1.17, 0 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-[3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 22507587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).