(2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine

C11H12F3NO2S — CID 71108110

IUPAC(2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)[C@@H]1CCCN1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)8-4-1-2-5-9(8)18(16,17)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2/t10-/m1/s1
InChIKeyDPISQBMNWUTICT-SNVBAGLBSA-N
MW279.28 g/mol
LogP2.19
Rot. Bonds2

About (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine

(2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine (PubChem CID 71108110) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
PubChem CID71108110
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name(2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)[C@@H]1CCCN1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)8-4-1-2-5-9(8)18(16,17)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2/t10-/m1/s1
InChIKeyDPISQBMNWUTICT-SNVBAGLBSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
CID 106585400
2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]azetidine
CID 115071057
3-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-one
CID 106584689
N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
CID 106584789
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
1-[(1S,3S)-3-methoxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
CID 90106963
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 3854693
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2384447
2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol
CID 106585385
methyl (2S,4R)-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
CID 66771131
carbonic acid;1-[(1S,3S)-3-cyclobutyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
CID 90107384
9-[2-(trifluoromethyl)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719194

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine (CID 71108110) is (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine is O=S(=O)(c1ccccc1C(F)(F)F)[C@@H]1CCCN1.
What is the InChIKey of (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
The InChIKey is DPISQBMNWUTICT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)8-4-1-2-5-9(8)18(16,17)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2/t10-/m1/s1.
What are the key properties of (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
(2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine has a molecular weight of 279.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 71108110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).