3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine

C8H14F3NS — CID 123784194

IUPAC3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCSC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H14F3NS/c1-13-7-3-2-4-12(5-7)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyBGYRSTOJIXYHPQ-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.38
Rot. Bonds2

About 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine

3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 123784194) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID123784194
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCSC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H14F3NS/c1-13-7-3-2-4-12(5-7)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyBGYRSTOJIXYHPQ-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine (CID 123784194) is 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine is CSC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is BGYRSTOJIXYHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-13-7-3-2-4-12(5-7)6-8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 213.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 123784194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).