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

C8H14F3NOS — CID 104891380

IUPAC[(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCSC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)14-5-4-12-3-1-2-7(12)6-13/h7,13H,1-6H2/t7-/m0/s1
InChIKeySUZNZBMCISFNBA-ZETCQYMHSA-N
MW229.27 g/mol
LogP1.70
Rot. Bonds4

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

[(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 104891380) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is [(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
PubChem CID104891380
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name[(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCSC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)14-5-4-12-3-1-2-7(12)6-13/h7,13H,1-6H2/t7-/m0/s1
InChIKeySUZNZBMCISFNBA-ZETCQYMHSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol (CID 104891380) is [(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CCSC(F)(F)F.
What is the InChIKey of [(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is SUZNZBMCISFNBA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3NOS/c9-8(10,11)14-5-4-12-3-1-2-7(12)6-13/h7,13H,1-6H2/t7-/m0/s1.
What are the key properties of [(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 229.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 104891380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).