(3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine

C7H12F3NO2S — CID 86276437

IUPAC(3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCC[C@H]1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2S/c1-2-6-3-4-11(5-6)14(12,13)7(8,9)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyQEWFGLOPTIKNRI-LURJTMIESA-N
MW231.24 g/mol
LogP1.57
Rot. Bonds2

About (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine

(3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 86276437) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID86276437
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name(3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCC[C@H]1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2S/c1-2-6-3-4-11(5-6)14(12,13)7(8,9)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyQEWFGLOPTIKNRI-LURJTMIESA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 86276437) is (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine is CC[C@H]1CCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is QEWFGLOPTIKNRI-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-2-6-3-4-11(5-6)14(12,13)7(8,9)10/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine?
(3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 231.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 86276437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).