1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C12H14ClF3N2OS — CID 62966486

IUPAC1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClF3N2OS/c13-11-2-1-10(20-11)9(19)7-17-3-5-18(6-4-17)8-12(14,15)16/h1-2H,3-8H2
InChIKeyLODCWGHKTGRGEZ-UHFFFAOYSA-N
MW326.77 g/mol
LogP2.76
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 62966486) has the molecular formula C12H14ClF3N2OS and a molecular weight of 326.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID62966486
Molecular FormulaC12H14ClF3N2OS
Molecular Weight326.77 g/mol
Exact Mass326.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClF3N2OS/c13-11-2-1-10(20-11)9(19)7-17-3-5-18(6-4-17)8-12(14,15)16/h1-2H,3-8H2
InChIKeyLODCWGHKTGRGEZ-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 62966486) is 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CC(F)(F)F)CC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is LODCWGHKTGRGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2OS/c13-11-2-1-10(20-11)9(19)7-17-3-5-18(6-4-17)8-12(14,15)16/h1-2H,3-8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 326.77 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62966486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).