2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine

C9H19FN2O2S — CID 130440395

IUPAC2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(C)(=O)=O)C(CF)C1
InChIInChI=1S/C9H19FN2O2S/c1-3-4-11-5-6-12(15(2,13)14)9(7-10)8-11/h9H,3-8H2,1-2H3
InChIKeyLRTVBPXRGLJJKL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.31
Rot. Bonds4

About 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine

2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine (PubChem CID 130440395) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine
PubChem CID130440395
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC Name2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(C)(=O)=O)C(CF)C1
InChIInChI=1S/C9H19FN2O2S/c1-3-4-11-5-6-12(15(2,13)14)9(7-10)8-11/h9H,3-8H2,1-2H3
InChIKeyLRTVBPXRGLJJKL-UHFFFAOYSA-N
XLogP0.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine?
The IUPAC name of 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine (CID 130440395) is 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine.
What is the SMILES notation for 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine?
The canonical SMILES for 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine is CCCN1CCN(S(C)(=O)=O)C(CF)C1.
What is the InChIKey of 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine?
The InChIKey is LRTVBPXRGLJJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-3-4-11-5-6-12(15(2,13)14)9(7-10)8-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine?
2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine has a molecular weight of 238.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-methylsulfonyl-4-propylpiperazine is sourced from PubChem (CID 130440395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).