2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone

C11H11F3N2O2S — CID 62726735

IUPAC2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)10(18)16-4-2-15(3-5-16)9(17)8-1-6-19-7-8/h1,6-7H,2-5H2
InChIKeyDMUNGGDNIKKRTK-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.59
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 62726735) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID62726735
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)10(18)16-4-2-15(3-5-16)9(17)8-1-6-19-7-8/h1,6-7H,2-5H2
InChIKeyDMUNGGDNIKKRTK-UHFFFAOYSA-N
XLogP1.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone (CID 62726735) is 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone is O=C(c1ccsc1)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is DMUNGGDNIKKRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c12-11(13,14)10(18)16-4-2-15(3-5-16)9(17)8-1-6-19-7-8/h1,6-7H,2-5H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 292.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62726735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).