2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol

C10H18F3NOS — CID 116617454

IUPAC2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)16-8-6-14-5-2-1-3-9(14)4-7-15/h9,15H,1-8H2
InChIKeyPCYBOEOSCJZYAP-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol

2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol (PubChem CID 116617454) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol
PubChem CID116617454
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)16-8-6-14-5-2-1-3-9(14)4-7-15/h9,15H,1-8H2
InChIKeyPCYBOEOSCJZYAP-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol (CID 116617454) is 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol is OCCC1CCCCN1CCSC(F)(F)F.
What is the InChIKey of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol?
The InChIKey is PCYBOEOSCJZYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c11-10(12,13)16-8-6-14-5-2-1-3-9(14)4-7-15/h9,15H,1-8H2.
What are the key properties of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol?
2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol has a molecular weight of 257.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 116617454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).