1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone

C8H12F3NOS — CID 51078869

IUPAC1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H12F3NOS/c9-8(10,11)14-6-7(13)12-4-2-1-3-5-12/h1-6H2
InChIKeyUIFSUMKVMJYOLM-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.25
Rot. Bonds2

About 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone

1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 51078869) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone
PubChem CID51078869
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC Name1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H12F3NOS/c9-8(10,11)14-6-7(13)12-4-2-1-3-5-12/h1-6H2
InChIKeyUIFSUMKVMJYOLM-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone (CID 51078869) is 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone is O=C(CSC(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is UIFSUMKVMJYOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NOS/c9-8(10,11)14-6-7(13)12-4-2-1-3-5-12/h1-6H2.
What are the key properties of 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone?
1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 227.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 51078869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).