1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine

C12H16F2N2O2S — CID 55104398

IUPAC1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine
SMILESCC1CNCCN1c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2N2O2S/c1-9-8-15-6-7-16(9)10-4-2-3-5-11(10)19(17,18)12(13)14/h2-5,9,12,15H,6-8H2,1H3
InChIKeyJALXKBYBZYGMBF-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.48
Rot. Bonds3

About 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine

1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine (PubChem CID 55104398) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine
PubChem CID55104398
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine
SMILESCC1CNCCN1c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2N2O2S/c1-9-8-15-6-7-16(9)10-4-2-3-5-11(10)19(17,18)12(13)14/h2-5,9,12,15H,6-8H2,1H3
InChIKeyJALXKBYBZYGMBF-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine?
The IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine (CID 55104398) is 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine.
What is the SMILES notation for 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine?
The canonical SMILES for 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine is CC1CNCCN1c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine?
The InChIKey is JALXKBYBZYGMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-9-8-15-6-7-16(9)10-4-2-3-5-11(10)19(17,18)12(13)14/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine?
1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine has a molecular weight of 290.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine is sourced from PubChem (CID 55104398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).