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

C9H16F3NOS — CID 102788801

IUPAC[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCSC(F)(F)F)C1CO
InChIInChI=1S/C9H16F3NOS/c1-7-2-3-13(8(7)6-14)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyIFLICPRXBXTYNK-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.94
Rot. Bonds4

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

[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 102788801) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
PubChem CID102788801
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCSC(F)(F)F)C1CO
InChIInChI=1S/C9H16F3NOS/c1-7-2-3-13(8(7)6-14)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyIFLICPRXBXTYNK-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

[3-Methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 142794277
[(2R)-4,4-difluoro-1-(3-methylbutan-2-yl)pyrrolidin-2-yl]methanol
CID 146286428
[3-Methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol
CID 102787836
[3-Methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 102787854
[3-Methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
CID 102788450
[1-(2,2-Difluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102788643
[(2R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
CID 104891379
[(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
CID 104891380
[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
CID 116617461
2-[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
CID 116628314
[1-[(3,3-Difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 126793703
[(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 129348547

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol (CID 102788801) is [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol is CC1CCN(CCSC(F)(F)F)C1CO.
What is the InChIKey of [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is IFLICPRXBXTYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-7-2-3-13(8(7)6-14)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol 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 [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).