1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine

C11H20F3N3S — CID 112739438

IUPAC1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine
SMILESFC(F)(F)SCCN1CCC(N2CCNCC2)C1
InChIInChI=1S/C11H20F3N3S/c12-11(13,14)18-8-7-16-4-1-10(9-16)17-5-2-15-3-6-17/h10,15H,1-9H2
InChIKeyBMRZHYSOMZWOFI-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.22
Rot. Bonds4

About 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine

1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine (PubChem CID 112739438) has the molecular formula C11H20F3N3S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine
PubChem CID112739438
Molecular FormulaC11H20F3N3S
Molecular Weight283.36 g/mol
Exact Mass283.13
IUPAC Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine
SMILESFC(F)(F)SCCN1CCC(N2CCNCC2)C1
InChIInChI=1S/C11H20F3N3S/c12-11(13,14)18-8-7-16-4-1-10(9-16)17-5-2-15-3-6-17/h10,15H,1-9H2
InChIKeyBMRZHYSOMZWOFI-UHFFFAOYSA-N
XLogP1.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine (CID 112739438) is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine is FC(F)(F)SCCN1CCC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine?
The InChIKey is BMRZHYSOMZWOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3S/c12-11(13,14)18-8-7-16-4-1-10(9-16)17-5-2-15-3-6-17/h10,15H,1-9H2.
What are the key properties of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine?
1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine has a molecular weight of 283.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 112739438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).