2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone

C9H15F3N2O — CID 90893706

IUPAC2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone
SMILESCCCN1CCNCC1C(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-4-14-5-3-13-6-7(14)8(15)9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyDFFFBJNYQVBJPC-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.80
Rot. Bonds3

About 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone

2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone (PubChem CID 90893706) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone
PubChem CID90893706
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone
SMILESCCCN1CCNCC1C(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-4-14-5-3-13-6-7(14)8(15)9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyDFFFBJNYQVBJPC-UHFFFAOYSA-N
XLogP0.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone (CID 90893706) is 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone is CCCN1CCNCC1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone?
The InChIKey is DFFFBJNYQVBJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-4-14-5-3-13-6-7(14)8(15)9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone?
2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone has a molecular weight of 224.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-propylpiperazin-2-yl)ethanone is sourced from PubChem (CID 90893706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).