1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone

C7H11F3N2OS — CID 82510003

IUPAC1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)14-5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
InChIKeyRQTZMPNCFCNAAV-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.67
Rot. Bonds2

About 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone

1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 82510003) has the molecular formula C7H11F3N2OS and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone
PubChem CID82510003
Molecular FormulaC7H11F3N2OS
Molecular Weight228.24 g/mol
Exact Mass228.05
IUPAC Name1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)14-5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
InChIKeyRQTZMPNCFCNAAV-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone (CID 82510003) is 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone is O=C(CSC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is RQTZMPNCFCNAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2OS/c8-7(9,10)14-5-6(13)12-3-1-11-2-4-12/h11H,1-5H2.
What are the key properties of 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone?
1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 228.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 82510003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).