3-(2-fluoroethylsulfonyl)pyrrolidine

C6H12FNO2S — CID 84657957

IUPAC3-(2-fluoroethylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCF)C1CCNC1
InChIInChI=1S/C6H12FNO2S/c7-2-4-11(9,10)6-1-3-8-5-6/h6,8H,1-5H2
InChIKeyQXNLKNOLMSLLNJ-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.27
Rot. Bonds3

About 3-(2-fluoroethylsulfonyl)pyrrolidine

3-(2-fluoroethylsulfonyl)pyrrolidine (PubChem CID 84657957) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-fluoroethylsulfonyl)pyrrolidine
PubChem CID84657957
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-(2-fluoroethylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCF)C1CCNC1
InChIInChI=1S/C6H12FNO2S/c7-2-4-11(9,10)6-1-3-8-5-6/h6,8H,1-5H2
InChIKeyQXNLKNOLMSLLNJ-UHFFFAOYSA-N
XLogP-0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride
CID 76145203
3-(Methylsulfonyl)pyrrolidine
CID 3419356
3-Methanesulfonylpyrrolidine hydrochloride
CID 70700885
3-(Propylamino)-1lambda6-thiolane-1,1-dione
CID 3703923
3-(Ethanesulfonyl)pyrrolidine hydrochloride
CID 72716323
3-(Propane-2-sulfonyl)pyrrolidine hydrochloride
CID 72716324
3-Methanesulfonyl-4-(trifluoromethyl)pyrrolidine
CID 122237253
Pyrrolidine-3-sulfonyl fluoride
CID 130642641
3-(Ethanesulfonyl)pyrrolidine
CID 53403988
3-(Propane-2-sulfonyl)pyrrolidine
CID 71777939
3-(2-Methylpropane-2-sulfonyl)pyrrolidine
CID 76145204

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfonyl)pyrrolidine?
The IUPAC name of 3-(2-fluoroethylsulfonyl)pyrrolidine (CID 84657957) is 3-(2-fluoroethylsulfonyl)pyrrolidine.
What is the SMILES notation for 3-(2-fluoroethylsulfonyl)pyrrolidine?
The canonical SMILES for 3-(2-fluoroethylsulfonyl)pyrrolidine is O=S(=O)(CCF)C1CCNC1.
What is the InChIKey of 3-(2-fluoroethylsulfonyl)pyrrolidine?
The InChIKey is QXNLKNOLMSLLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-2-4-11(9,10)6-1-3-8-5-6/h6,8H,1-5H2.
What are the key properties of 3-(2-fluoroethylsulfonyl)pyrrolidine?
3-(2-fluoroethylsulfonyl)pyrrolidine has a molecular weight of 181.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfonyl)pyrrolidine is sourced from PubChem (CID 84657957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).