2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C12H16F3N3O — CID 131926315

IUPAC2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccc1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-17-5-7-18(8-6-17)11(19)9-16-3-1-2-4-16/h1-4H,5-10H2
InChIKeyIPUDEHWNTOHGCG-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.19
Rot. Bonds3

About 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 131926315) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID131926315
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccc1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-17-5-7-18(8-6-17)11(19)9-16-3-1-2-4-16/h1-4H,5-10H2
InChIKeyIPUDEHWNTOHGCG-UHFFFAOYSA-N
XLogP1.19
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 131926315) is 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is O=C(Cn1cccc1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is IPUDEHWNTOHGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-17-5-7-18(8-6-17)11(19)9-16-3-1-2-4-16/h1-4H,5-10H2.
What are the key properties of 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 275.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 131926315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).