3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine

C8H16FNO2S — CID 131084617

IUPAC3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCC(C)(F)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2)13(11,12)10-5-4-8(3,9)6-10/h7H,4-6H2,1-3H3
InChIKeyVPBNWKRJXRWOPF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.16
Rot. Bonds2

About 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine

3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 131084617) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine
PubChem CID131084617
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCC(C)(F)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2)13(11,12)10-5-4-8(3,9)6-10/h7H,4-6H2,1-3H3
InChIKeyVPBNWKRJXRWOPF-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine 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 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine (CID 131084617) is 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)N1CCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is VPBNWKRJXRWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2)13(11,12)10-5-4-8(3,9)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine?
3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 209.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 131084617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).