1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione

C8H12F3NOS — CID 91511854

IUPAC1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione
SMILESCN1C(=S)CCCC1COC(F)(F)F
InChIInChI=1S/C8H12F3NOS/c1-12-6(3-2-4-7(12)14)5-13-8(9,10)11/h6H,2-5H2,1H3
InChIKeyXASCDGPMBLFVTC-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.33
Rot. Bonds2

About 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione

1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione (PubChem CID 91511854) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione.

Molecular Properties

Compound Name1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione
PubChem CID91511854
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC Name1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione
SMILESCN1C(=S)CCCC1COC(F)(F)F
InChIInChI=1S/C8H12F3NOS/c1-12-6(3-2-4-7(12)14)5-13-8(9,10)11/h6H,2-5H2,1H3
InChIKeyXASCDGPMBLFVTC-UHFFFAOYSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione?
The IUPAC name of 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione (CID 91511854) is 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione.
What is the SMILES notation for 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione?
The canonical SMILES for 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione is CN1C(=S)CCCC1COC(F)(F)F.
What is the InChIKey of 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione?
The InChIKey is XASCDGPMBLFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NOS/c1-12-6(3-2-4-7(12)14)5-13-8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione?
1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione has a molecular weight of 227.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(trifluoromethoxymethyl)piperidine-2-thione is sourced from PubChem (CID 91511854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).