1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C12H14F3NO3S — CID 128963640

IUPAC1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CC(O)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-20(18,19)16-7-10(17)6-11(16)8-3-2-4-9(5-8)12(13,14)15/h2-5,10-11,17H,6-7H2,1H3
InChIKeyRSUNVCSPQZSABF-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.77
Rot. Bonds2

About 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 128963640) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID128963640
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CC(O)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-20(18,19)16-7-10(17)6-11(16)8-3-2-4-9(5-8)12(13,14)15/h2-5,10-11,17H,6-7H2,1H3
InChIKeyRSUNVCSPQZSABF-UHFFFAOYSA-N
XLogP1.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-1-(2-methoxyethylsulfonyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 99703425
(2R,4R)-4-hydroxy-N-methyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 124622520
(3R)-4-methylsulfonyl-3-[3-(trifluoromethyl)phenyl]thiomorpholine
CID 124617909
2-[4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 128978262
1-[3-[4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 128963890
[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 97159209
N-ethyl-2-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide
CID 129425322
[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 129372817
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
N-ethyl-2-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447306
[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100659421
[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 100659637

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 128963640) is 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is CS(=O)(=O)N1CC(O)CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is RSUNVCSPQZSABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-20(18,19)16-7-10(17)6-11(16)8-3-2-4-9(5-8)12(13,14)15/h2-5,10-11,17H,6-7H2,1H3.
What are the key properties of 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 309.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 128963640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).