2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone

C7H11F3N2O — CID 3518513

IUPAC2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c1-11-2-4-12(5-3-11)6(13)7(8,9)10/h2-5H2,1H3
InChIKeyDEFPMQPLQGCYBT-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.32
Rot. Bonds

About 2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone

2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 3518513) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID3518513
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c1-11-2-4-12(5-3-11)6(13)7(8,9)10/h2-5H2,1H3
InChIKeyDEFPMQPLQGCYBT-UHFFFAOYSA-N
XLogP0.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.32
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-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone (CID 3518513) is 2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is DEFPMQPLQGCYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-11-2-4-12(5-3-11)6(13)7(8,9)10/h2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 196.17 g/mol, XLogP of 0.32, 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-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3518513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).