1-(2-fluoroethylsulfonyl)piperazine

C6H13FN2O2S — CID 54461174

IUPAC1-(2-fluoroethylsulfonyl)piperazine
SMILESO=S(=O)(CCF)N1CCNCC1
InChIInChI=1S/C6H13FN2O2S/c7-1-6-12(10,11)9-4-2-8-3-5-9/h8H,1-6H2
InChIKeyFZPFYVLAGOYMDY-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.81
Rot. Bonds3

About 1-(2-fluoroethylsulfonyl)piperazine

1-(2-fluoroethylsulfonyl)piperazine (PubChem CID 54461174) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2-fluoroethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2-fluoroethylsulfonyl)piperazine
PubChem CID54461174
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Name1-(2-fluoroethylsulfonyl)piperazine
SMILESO=S(=O)(CCF)N1CCNCC1
InChIInChI=1S/C6H13FN2O2S/c7-1-6-12(10,11)9-4-2-8-3-5-9/h8H,1-6H2
InChIKeyFZPFYVLAGOYMDY-UHFFFAOYSA-N
XLogP-0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethylsulfonyl)piperazine?
The IUPAC name of 1-(2-fluoroethylsulfonyl)piperazine (CID 54461174) is 1-(2-fluoroethylsulfonyl)piperazine.
What is the SMILES notation for 1-(2-fluoroethylsulfonyl)piperazine?
The canonical SMILES for 1-(2-fluoroethylsulfonyl)piperazine is O=S(=O)(CCF)N1CCNCC1.
What is the InChIKey of 1-(2-fluoroethylsulfonyl)piperazine?
The InChIKey is FZPFYVLAGOYMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2S/c7-1-6-12(10,11)9-4-2-8-3-5-9/h8H,1-6H2.
What are the key properties of 1-(2-fluoroethylsulfonyl)piperazine?
1-(2-fluoroethylsulfonyl)piperazine has a molecular weight of 196.25 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethylsulfonyl)piperazine is sourced from PubChem (CID 54461174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).