3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol

C8H14F3NOS — CID 104891395

IUPAC3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol
SMILESCC1(O)CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c1-7(13)2-3-12(6-7)4-5-14-8(9,10)11/h13H,2-6H2,1H3
InChIKeyNKZGSFOVVAZSIF-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.70
Rot. Bonds3

About 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol

3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol (PubChem CID 104891395) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol
PubChem CID104891395
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol
SMILESCC1(O)CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c1-7(13)2-3-12(6-7)4-5-14-8(9,10)11/h13H,2-6H2,1H3
InChIKeyNKZGSFOVVAZSIF-UHFFFAOYSA-N
XLogP1.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Sulfanylethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 126759750
1-Propyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130161553
3-Methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
CID 103728376
1-[2-(Sulfanylmethyl)pentyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737809
1-(3-Methyl-5-sulfanylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737810
3-Ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617473
1-(2-Tert-butylsulfanylethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 121526307
(3S)-1-(2-tert-butylsulfanylethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124844651
(3R)-1-(2-tert-butylsulfanylethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124844652
1-(2-Sulfanylethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 126978499
3-(Difluoromethyl)-1-propylpyrrolidin-3-ol
CID 126985860
1-(3-Ethylsulfanylpropyl)-3-methylpyrrolidin-3-ol
CID 103728379

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol (CID 104891395) is 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol is CC1(O)CCN(CCSC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol?
The InChIKey is NKZGSFOVVAZSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-7(13)2-3-12(6-7)4-5-14-8(9,10)11/h13H,2-6H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol?
3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol has a molecular weight of 229.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 104891395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).