1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol

C13H16F3NO3S — CID 115966647

IUPAC1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3NO3S/c1-9(18)10-6-7-17(8-10)11-2-4-12(5-3-11)21(19,20)13(14,15)16/h2-5,9-10,18H,6-8H2,1H3
InChIKeyFATUBAFADMTUSD-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.19
Rot. Bonds3

About 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol

1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol (PubChem CID 115966647) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol
PubChem CID115966647
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3NO3S/c1-9(18)10-6-7-17(8-10)11-2-4-12(5-3-11)21(19,20)13(14,15)16/h2-5,9-10,18H,6-8H2,1H3
InChIKeyFATUBAFADMTUSD-UHFFFAOYSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115966637
4-chloro-3-methyl-1-[4-(trifluoromethylsulfonyl)phenyl]piperidine
CID 114682667
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
3-fluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627808
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
3-amino-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112624246
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol (CID 115966647) is 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is FATUBAFADMTUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c1-9(18)10-6-7-17(8-10)11-2-4-12(5-3-11)21(19,20)13(14,15)16/h2-5,9-10,18H,6-8H2,1H3.
What are the key properties of 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol?
1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 323.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115966647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).