(2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine

C7H12F3NO2S — CID 159478132

IUPAC(2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine
SMILESO=S(=O)(CC[C@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)14(12,13)5-3-6-2-1-4-11-6/h6,11H,1-5H2/t6-/m1/s1
InChIKeyYUUXBMNXCBKRJQ-ZCFIWIBFSA-N
MW231.24 g/mol
LogP1.06
Rot. Bonds3

About (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine

(2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine (PubChem CID 159478132) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine
PubChem CID159478132
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name(2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine
SMILESO=S(=O)(CC[C@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)14(12,13)5-3-6-2-1-4-11-6/h6,11H,1-5H2/t6-/m1/s1
InChIKeyYUUXBMNXCBKRJQ-ZCFIWIBFSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine?
The IUPAC name of (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine (CID 159478132) is (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine is O=S(=O)(CC[C@H]1CCCN1)C(F)(F)F.
What is the InChIKey of (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine?
The InChIKey is YUUXBMNXCBKRJQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c8-7(9,10)14(12,13)5-3-6-2-1-4-11-6/h6,11H,1-5H2/t6-/m1/s1.
What are the key properties of (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine?
(2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine has a molecular weight of 231.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(trifluoromethylsulfonyl)ethyl]pyrrolidine is sourced from PubChem (CID 159478132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).