1-(4,4,4-trifluorobutylsulfonyl)piperazine

C8H15F3N2O2S — CID 54512311

IUPAC1-(4,4,4-trifluorobutylsulfonyl)piperazine
SMILESO=S(=O)(CCCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)2-1-7-16(14,15)13-5-3-12-4-6-13/h12H,1-7H2
InChIKeyHVXTZTMSCNKPBX-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.56
Rot. Bonds4

About 1-(4,4,4-trifluorobutylsulfonyl)piperazine

1-(4,4,4-trifluorobutylsulfonyl)piperazine (PubChem CID 54512311) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonyl)piperazine
PubChem CID54512311
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1-(4,4,4-trifluorobutylsulfonyl)piperazine
SMILESO=S(=O)(CCCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)2-1-7-16(14,15)13-5-3-12-4-6-13/h12H,1-7H2
InChIKeyHVXTZTMSCNKPBX-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperazine?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperazine (CID 54512311) is 1-(4,4,4-trifluorobutylsulfonyl)piperazine.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonyl)piperazine?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonyl)piperazine is O=S(=O)(CCCC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonyl)piperazine?
The InChIKey is HVXTZTMSCNKPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)2-1-7-16(14,15)13-5-3-12-4-6-13/h12H,1-7H2.
What are the key properties of 1-(4,4,4-trifluorobutylsulfonyl)piperazine?
1-(4,4,4-trifluorobutylsulfonyl)piperazine has a molecular weight of 260.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfonyl)piperazine is sourced from PubChem (CID 54512311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).