1-[3-(trifluoromethyl)thiophen-2-yl]piperazine

C9H11F3N2S — CID 159445337

IUPAC1-[3-(trifluoromethyl)thiophen-2-yl]piperazine
SMILESFC(F)(F)c1ccsc1N1CCNCC1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)7-1-6-15-8(7)14-4-2-13-3-5-14/h1,6,13H,2-5H2
InChIKeyLSRPMMIQCQQZCJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.18
Rot. Bonds1

About 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine

1-[3-(trifluoromethyl)thiophen-2-yl]piperazine (PubChem CID 159445337) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)thiophen-2-yl]piperazine
PubChem CID159445337
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name1-[3-(trifluoromethyl)thiophen-2-yl]piperazine
SMILESFC(F)(F)c1ccsc1N1CCNCC1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)7-1-6-15-8(7)14-4-2-13-3-5-14/h1,6,13H,2-5H2
InChIKeyLSRPMMIQCQQZCJ-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiophen-2-yl)piperazine
CID 21950130
1-[4-Fluoro-3-(trifluoromethyl)thiophen-2-yl]piperazine
CID 68121984
triethylazanium;N-[4-(trifluoromethyl)thiophen-2-yl]carbamodithioate
CID 88615758
1-Thiophen-2-yl-3-(trifluoromethyl)piperazine
CID 140325952
N,N-diethylethanamine;[4-(trifluoromethyl)thiophen-2-yl]carbamodithioic acid
CID 171928003
N-propyl-3-(trifluoromethyl)thiophen-2-amine
CID 173055782
1-Thiophen-2-yl-2-(trifluoromethyl)piperazine
CID 115101316
3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257713
N,3-dimethyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257847
Piperazine, 1-(3-methyl-2-thienyl)-
CID 22001524
1-(3-Methylthiophen-2-yl)piperazine;hydrochloride
CID 22001583
1-(2-Thienyl)piperazine hydrochloride
CID 23149811

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine?
The IUPAC name of 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine (CID 159445337) is 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine is FC(F)(F)c1ccsc1N1CCNCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine?
The InChIKey is LSRPMMIQCQQZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c10-9(11,12)7-1-6-15-8(7)14-4-2-13-3-5-14/h1,6,13H,2-5H2.
What are the key properties of 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine?
1-[3-(trifluoromethyl)thiophen-2-yl]piperazine has a molecular weight of 236.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)thiophen-2-yl]piperazine is sourced from PubChem (CID 159445337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).