1-(difluoromethylsulfonyl)-3-methylpiperazine

C6H12F2N2O2S — CID 65450334

IUPAC1-(difluoromethylsulfonyl)-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)C(F)F)CCN1
InChIInChI=1S/C6H12F2N2O2S/c1-5-4-10(3-2-9-5)13(11,12)6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyKWUPDLBIJOZYAI-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.17
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-3-methylpiperazine

1-(difluoromethylsulfonyl)-3-methylpiperazine (PubChem CID 65450334) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-methylpiperazine
PubChem CID65450334
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name1-(difluoromethylsulfonyl)-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)C(F)F)CCN1
InChIInChI=1S/C6H12F2N2O2S/c1-5-4-10(3-2-9-5)13(11,12)6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyKWUPDLBIJOZYAI-UHFFFAOYSA-N
XLogP-0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-methylpiperazine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-methylpiperazine (CID 65450334) is 1-(difluoromethylsulfonyl)-3-methylpiperazine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-methylpiperazine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-methylpiperazine is CC1CN(S(=O)(=O)C(F)F)CCN1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-methylpiperazine?
The InChIKey is KWUPDLBIJOZYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c1-5-4-10(3-2-9-5)13(11,12)6(7)8/h5-6,9H,2-4H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-methylpiperazine?
1-(difluoromethylsulfonyl)-3-methylpiperazine has a molecular weight of 214.24 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-methylpiperazine is sourced from PubChem (CID 65450334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).