2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

C12H18F3N3S — CID 43173301

IUPAC2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(c1cccs1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3S/c13-12(14,15)9-17-3-5-18(6-4-17)10(8-16)11-2-1-7-19-11/h1-2,7,10H,3-6,8-9,16H2
InChIKeyUMHHQLATJPFRQW-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.93
Rot. Bonds4

About 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 43173301) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
PubChem CID43173301
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(c1cccs1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3S/c13-12(14,15)9-17-3-5-18(6-4-17)10(8-16)11-2-1-7-19-11/h1-2,7,10H,3-6,8-9,16H2
InChIKeyUMHHQLATJPFRQW-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (CID 43173301) is 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is NCC(c1cccs1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is UMHHQLATJPFRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c13-12(14,15)9-17-3-5-18(6-4-17)10(8-16)11-2-1-7-19-11/h1-2,7,10H,3-6,8-9,16H2.
What are the key properties of 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine has a molecular weight of 293.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 43173301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).