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

C12H17ClF3N3S — CID 43362657

IUPAC2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(c1ccc(Cl)s1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H17ClF3N3S/c13-11-2-1-10(20-11)9(7-17)19-5-3-18(4-6-19)8-12(14,15)16/h1-2,9H,3-8,17H2
InChIKeyXSHHQJMNIOYCJG-UHFFFAOYSA-N
MW327.80 g/mol
LogP2.58
Rot. Bonds4

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

2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 43362657) has the molecular formula C12H17ClF3N3S and a molecular weight of 327.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
PubChem CID43362657
Molecular FormulaC12H17ClF3N3S
Molecular Weight327.80 g/mol
Exact Mass327.08
IUPAC Name2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(c1ccc(Cl)s1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H17ClF3N3S/c13-11-2-1-10(20-11)9(7-17)19-5-3-18(4-6-19)8-12(14,15)16/h1-2,9H,3-8,17H2
InChIKeyXSHHQJMNIOYCJG-UHFFFAOYSA-N
XLogP2.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428499
1-[(5-Chlorothiophen-2-yl)methyl]piperazine
CID 2455012
2-(4,4-Difluoropiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 58227986
N-[(5-chlorothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
CID 87553143
2-(5-Fluorothiophen-2-yl)piperazine
CID 118016917
4-Fluoro-1-(thiophen-2-ylmethyl)piperidin-3-amine
CID 142787337
N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 134927136
1-[(5-Chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3533876
1-[(5-Chlorothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3955434
1-[(5-Chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 4017784
1-[(5-Chlorothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine
CID 4268412
1-[(5-Chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4579620

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (CID 43362657) is 2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is NCC(c1ccc(Cl)s1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is XSHHQJMNIOYCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3S/c13-11-2-1-10(20-11)9(7-17)19-5-3-18(4-6-19)8-12(14,15)16/h1-2,9H,3-8,17H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine has a molecular weight of 327.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 43362657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).