3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid

C11H11F2NO4S — CID 66912269

IUPAC3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(C(F)S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H11F2NO4S/c12-8-1-3-9(4-2-8)19(17,18)10(13)7-5-14(6-7)11(15)16/h1-4,7,10H,5-6H2,(H,15,16)
InChIKeyFKVTZPRCSNMRNF-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.50
Rot. Bonds3

About 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid

3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid (PubChem CID 66912269) has the molecular formula C11H11F2NO4S and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid
PubChem CID66912269
Molecular FormulaC11H11F2NO4S
Molecular Weight291.27 g/mol
Exact Mass291.04
IUPAC Name3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(C(F)S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H11F2NO4S/c12-8-1-3-9(4-2-8)19(17,18)10(13)7-5-14(6-7)11(15)16/h1-4,7,10H,5-6H2,(H,15,16)
InChIKeyFKVTZPRCSNMRNF-UHFFFAOYSA-N
XLogP1.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid (CID 66912269) is 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid is O=C(O)N1CC(C(F)S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid?
The InChIKey is FKVTZPRCSNMRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4S/c12-8-1-3-9(4-2-8)19(17,18)10(13)7-5-14(6-7)11(15)16/h1-4,7,10H,5-6H2,(H,15,16).
What are the key properties of 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid?
3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 66912269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).