2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine

C12H15F3N2O2S — CID 65462962

IUPAC2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine
SMILESCC1(C)CNCCN1S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S/c1-12(2)7-16-3-4-17(12)20(18,19)11-9(14)5-8(13)6-10(11)15/h5-6,16H,3-4,7H2,1-2H3
InChIKeyBVFKZGIQIUBQIV-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.48
Rot. Bonds2

About 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine

2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine (PubChem CID 65462962) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine
PubChem CID65462962
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine
SMILESCC1(C)CNCCN1S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S/c1-12(2)7-16-3-4-17(12)20(18,19)11-9(14)5-8(13)6-10(11)15/h5-6,16H,3-4,7H2,1-2H3
InChIKeyBVFKZGIQIUBQIV-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine?
The IUPAC name of 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine (CID 65462962) is 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine is CC1(C)CNCCN1S(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine?
The InChIKey is BVFKZGIQIUBQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-12(2)7-16-3-4-17(12)20(18,19)11-9(14)5-8(13)6-10(11)15/h5-6,16H,3-4,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine?
2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine has a molecular weight of 308.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2,4,6-trifluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 65462962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).