3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine

C9H16F3NOS — CID 116616556

IUPAC3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine
SMILESFC(F)(F)SCCOCC1CCCNC1
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-5-4-14-7-8-2-1-3-13-6-8/h8,13H,1-7H2
InChIKeyGQHFPPADARJNED-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.26
Rot. Bonds5

About 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine

3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine (PubChem CID 116616556) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine
PubChem CID116616556
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine
SMILESFC(F)(F)SCCOCC1CCCNC1
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-5-4-14-7-8-2-1-3-13-6-8/h8,13H,1-7H2
InChIKeyGQHFPPADARJNED-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
CID 112587717
3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
CID 45074936
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752
2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile
CID 65253359
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
3-[(2,2-difluorocyclopropyl)methoxymethyl]piperidine
CID 126845147
(3R)-3-(2-fluoroethoxymethyl)pyrrolidine
CID 86320647
3-(oxan-4-ylmethoxymethyl)piperidine
CID 62383187

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine (CID 116616556) is 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine is FC(F)(F)SCCOCC1CCCNC1.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine?
The InChIKey is GQHFPPADARJNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c10-9(11,12)15-5-4-14-7-8-2-1-3-13-6-8/h8,13H,1-7H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine?
3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine has a molecular weight of 243.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine is sourced from PubChem (CID 116616556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).