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

C9H16F3NOS — CID 116628314

IUPAC2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-6-4-13-3-1-8(7-13)2-5-14/h8,14H,1-7H2
InChIKeyNCOPISHLTMIGKY-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.94
Rot. Bonds5

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

2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 116628314) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
PubChem CID116628314
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-6-4-13-3-1-8(7-13)2-5-14/h8,14H,1-7H2
InChIKeyNCOPISHLTMIGKY-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
CID 102788801
2-[1-(4,4,4-Trifluorobutyl)pyrrolidin-3-yl]ethanol
CID 114799712
2-[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]ethanol
CID 115647921
2-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]ethanol
CID 115648045
2-[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]ethanol
CID 115648120
[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol
CID 116617465
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
CID 116617486
2-[1-(2-Sulfanylethyl)pyrrolidin-3-yl]ethanol
CID 114802737
2-[1-(5-Sulfanylpentyl)pyrrolidin-3-yl]ethanol
CID 114802738
2-[1-(4-Sulfanylbutyl)pyrrolidin-3-yl]ethanol
CID 114802739
2-[1-(3-Sulfanylpropyl)pyrrolidin-3-yl]ethanol
CID 114802740
2-[1-(2-Methyl-3-sulfanylpropyl)pyrrolidin-3-yl]ethanol
CID 114802748

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol (CID 116628314) is 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(CCSC(F)(F)F)C1.
What is the InChIKey of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is NCOPISHLTMIGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c10-9(11,12)15-6-4-13-3-1-8(7-13)2-5-14/h8,14H,1-7H2.
What are the key properties of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 243.29 g/mol, XLogP of 1.94, 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]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 116628314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).