1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol

C11H12F3NO3S — CID 55132124

IUPAC1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1N1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)19(17,18)10-4-2-1-3-9(10)15-6-5-8(16)7-15/h1-4,8,16H,5-7H2
InChIKeyMGTLWCFMHVEBGG-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.55
Rot. Bonds2

About 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol

1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol (PubChem CID 55132124) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
PubChem CID55132124
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1N1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)19(17,18)10-4-2-1-3-9(10)15-6-5-8(16)7-15/h1-4,8,16H,5-7H2
InChIKeyMGTLWCFMHVEBGG-UHFFFAOYSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817
(3S)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113239909
(3R)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113238022
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide
CID 104892772
3-bromo-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine
CID 80673575
[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 56796829
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol
CID 133446523
4-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 80703033
N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide
CID 49431253
2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
CID 133354177
1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
CID 114680750

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol (CID 55132124) is 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol is O=S(=O)(c1ccccc1N1CCC(O)C1)C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol?
The InChIKey is MGTLWCFMHVEBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-11(13,14)19(17,18)10-4-2-1-3-9(10)15-6-5-8(16)7-15/h1-4,8,16H,5-7H2.
What are the key properties of 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol?
1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol has a molecular weight of 295.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 55132124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).