(2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine

C11H12F3NO2S — CID 86276449

IUPAC(2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESO=S(=O)(N1CCC[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)18(16,17)15-8-4-7-10(15)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2/t10-/m0/s1
InChIKeySEHTZKNPUCFQFU-JTQLQIEISA-N
MW279.28 g/mol
LogP2.67
Rot. Bonds2

About (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine

(2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 86276449) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID86276449
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name(2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESO=S(=O)(N1CCC[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)18(16,17)15-8-4-7-10(15)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2/t10-/m0/s1
InChIKeySEHTZKNPUCFQFU-JTQLQIEISA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 86276449) is (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine is O=S(=O)(N1CCC[C@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is SEHTZKNPUCFQFU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)18(16,17)15-8-4-7-10(15)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2/t10-/m0/s1.
What are the key properties of (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine?
(2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 279.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 86276449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).