3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine

C10H11F2NO2S — CID 174523011

IUPAC3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine
SMILESO=S(=O)(c1ccc(F)cc1)C(F)C1CNC1
InChIInChI=1S/C10H11F2NO2S/c11-8-1-3-9(4-2-8)16(14,15)10(12)7-5-13-6-7/h1-4,7,10,13H,5-6H2
InChIKeyOYGLBHRTRDYGIN-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.11
Rot. Bonds3

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

3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine (PubChem CID 174523011) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine.

Molecular Properties

Compound Name3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine
PubChem CID174523011
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine
SMILESO=S(=O)(c1ccc(F)cc1)C(F)C1CNC1
InChIInChI=1S/C10H11F2NO2S/c11-8-1-3-9(4-2-8)16(14,15)10(12)7-5-13-6-7/h1-4,7,10,13H,5-6H2
InChIKeyOYGLBHRTRDYGIN-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.11
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?
The IUPAC name of 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine (CID 174523011) is 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine.
What is the SMILES notation for 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine?
The canonical SMILES for 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine is O=S(=O)(c1ccc(F)cc1)C(F)C1CNC1.
What is the InChIKey of 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine?
The InChIKey is OYGLBHRTRDYGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c11-8-1-3-9(4-2-8)16(14,15)10(12)7-5-13-6-7/h1-4,7,10,13H,5-6H2.
What are the key properties of 3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine?
3-[fluoro-(4-fluorophenyl)sulfonylmethyl]azetidine has a molecular weight of 247.27 g/mol, XLogP of 1.11, 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 is sourced from PubChem (CID 174523011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).