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

C8H14F3NOS — CID 116617465

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)14-4-3-12-2-1-7(5-12)6-13/h7,13H,1-6H2
InChIKeyYKYGYAUAIILPHN-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.55
Rot. Bonds4

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

[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 116617465) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID116617465
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)14-4-3-12-2-1-7(5-12)6-13/h7,13H,1-6H2
InChIKeyYKYGYAUAIILPHN-UHFFFAOYSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]methanol
CID 64567803
1-[3-(Hydroxymethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethylsulfanyl)ethanone
CID 109889714
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
CID 116617486
2-[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
CID 116628314
[(3R)-1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methanol
CID 156299291
[1-(2-Methylsulfanylethyl)pyrrolidin-3-yl]methanol
CID 64722378
[1-(2-Methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol
CID 64866896
[1-(3-Methylsulfanylpropyl)pyrrolidin-3-yl]methanol
CID 64867331
[1-(2-Ethylsulfanylethyl)pyrrolidin-3-yl]methanol
CID 115648495
[1-(2-Methylsulfanylpropyl)pyrrolidin-3-yl]methanol
CID 116043357
[1-(2-Methyl-2-methylsulfanylpropyl)pyrrolidin-3-yl]methanol
CID 116141589
[1-(4-Methylsulfanylbutyl)pyrrolidin-3-yl]methanol
CID 116210924

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol (CID 116617465) is [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol is OCC1CCN(CCSC(F)(F)F)C1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is YKYGYAUAIILPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c9-8(10,11)14-4-3-12-2-1-7(5-12)6-13/h7,13H,1-6H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol?
[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 229.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 116617465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).