1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol

C9H16F3NOS — CID 116617486

IUPAC1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-7(14)8-2-3-13(6-8)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyZMDFIZGQJGXMHC-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.94
Rot. Bonds4

About 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol

1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 116617486) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
PubChem CID116617486
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-7(14)8-2-3-13(6-8)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyZMDFIZGQJGXMHC-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
CID 102959740
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol
CID 104891391
2,2,2-Trifluoro-1-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]ethanol
CID 109868347
1-[3-(1-Hydroxyethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethylsulfanyl)ethanone
CID 110023718
1-[1-(2-Ethylsulfanylethyl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112326729
2,2,2-Trifluoro-1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanol
CID 112326738
1-[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]ethanol
CID 112628279
1-[1-(4,4,4-Trifluorobutyl)pyrrolidin-3-yl]ethanol
CID 112628410
1-[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]ethanol
CID 112628427
1-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]ethanol
CID 112628535
3-Ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
CID 114511118
[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol
CID 116617465

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol (CID 116617486) is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CCSC(F)(F)F)C1.
What is the InChIKey of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ZMDFIZGQJGXMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-7(14)8-2-3-13(6-8)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 243.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 116617486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).