4-methyl-1-(trifluoromethylsulfinyl)piperidine

C7H12F3NOS — CID 126655918

IUPAC4-methyl-1-(trifluoromethylsulfinyl)piperidine
SMILESCC1CCN(S(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NOS/c1-6-2-4-11(5-3-6)13(12)7(8,9)10/h6H,2-5H2,1H3
InChIKeyROPJOVXPPBOPKZ-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.90
Rot. Bonds1

About 4-methyl-1-(trifluoromethylsulfinyl)piperidine

4-methyl-1-(trifluoromethylsulfinyl)piperidine (PubChem CID 126655918) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-methyl-1-(trifluoromethylsulfinyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(trifluoromethylsulfinyl)piperidine
PubChem CID126655918
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC Name4-methyl-1-(trifluoromethylsulfinyl)piperidine
SMILESCC1CCN(S(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NOS/c1-6-2-4-11(5-3-6)13(12)7(8,9)10/h6H,2-5H2,1H3
InChIKeyROPJOVXPPBOPKZ-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(trifluoromethylsulfinyl)piperidine?
The IUPAC name of 4-methyl-1-(trifluoromethylsulfinyl)piperidine (CID 126655918) is 4-methyl-1-(trifluoromethylsulfinyl)piperidine.
What is the SMILES notation for 4-methyl-1-(trifluoromethylsulfinyl)piperidine?
The canonical SMILES for 4-methyl-1-(trifluoromethylsulfinyl)piperidine is CC1CCN(S(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(trifluoromethylsulfinyl)piperidine?
The InChIKey is ROPJOVXPPBOPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c1-6-2-4-11(5-3-6)13(12)7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 4-methyl-1-(trifluoromethylsulfinyl)piperidine?
4-methyl-1-(trifluoromethylsulfinyl)piperidine has a molecular weight of 215.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(trifluoromethylsulfinyl)piperidine is sourced from PubChem (CID 126655918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).