1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine

C11H12F4N2O2S — CID 119961668

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H12F4N2O2S/c12-8-1-2-10(9(7-8)11(13,14)15)20(18,19)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChIKeyFFUWQRNPMRNABE-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.44
Rot. Bonds2

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine

1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 119961668) has the molecular formula C11H12F4N2O2S and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID119961668
Molecular FormulaC11H12F4N2O2S
Molecular Weight312.29 g/mol
Exact Mass312.06
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H12F4N2O2S/c12-8-1-2-10(9(7-8)11(13,14)15)20(18,19)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChIKeyFFUWQRNPMRNABE-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 119961668) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is FFUWQRNPMRNABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2S/c12-8-1-2-10(9(7-8)11(13,14)15)20(18,19)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 312.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 119961668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).