1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine

C7H14FNO2S — CID 122244988

IUPAC1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine
SMILESCCS(=O)(=O)N1CCC(CF)C1
InChIInChI=1S/C7H14FNO2S/c1-2-12(10,11)9-4-3-7(5-8)6-9/h7H,2-6H2,1H3
InChIKeyPZKYTYWOJBEIMG-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.63
Rot. Bonds3

About 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine

1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine (PubChem CID 122244988) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine
PubChem CID122244988
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine
SMILESCCS(=O)(=O)N1CCC(CF)C1
InChIInChI=1S/C7H14FNO2S/c1-2-12(10,11)9-4-3-7(5-8)6-9/h7H,2-6H2,1H3
InChIKeyPZKYTYWOJBEIMG-UHFFFAOYSA-N
XLogP0.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine?
The IUPAC name of 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine (CID 122244988) is 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine.
What is the SMILES notation for 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine?
The canonical SMILES for 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine is CCS(=O)(=O)N1CCC(CF)C1.
What is the InChIKey of 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine?
The InChIKey is PZKYTYWOJBEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-2-12(10,11)9-4-3-7(5-8)6-9/h7H,2-6H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine?
1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine has a molecular weight of 195.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine is sourced from PubChem (CID 122244988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).