1-(3,4-difluorophenyl)sulfonylazetidine

C9H9F2NO2S — CID 66681891

IUPAC1-(3,4-difluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC1
InChIInChI=1S/C9H9F2NO2S/c10-8-3-2-7(6-9(8)11)15(13,14)12-4-1-5-12/h2-3,6H,1,4-5H2
InChIKeyQOCLQNDVQXUOTF-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.36
Rot. Bonds2

About 1-(3,4-difluorophenyl)sulfonylazetidine

1-(3,4-difluorophenyl)sulfonylazetidine (PubChem CID 66681891) has the molecular formula C9H9F2NO2S and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonylazetidine
PubChem CID66681891
Molecular FormulaC9H9F2NO2S
Molecular Weight233.24 g/mol
Exact Mass233.03
IUPAC Name1-(3,4-difluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC1
InChIInChI=1S/C9H9F2NO2S/c10-8-3-2-7(6-9(8)11)15(13,14)12-4-1-5-12/h2-3,6H,1,4-5H2
InChIKeyQOCLQNDVQXUOTF-UHFFFAOYSA-N
XLogP1.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonylazetidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonylazetidine (CID 66681891) is 1-(3,4-difluorophenyl)sulfonylazetidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonylazetidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonylazetidine is O=S(=O)(c1ccc(F)c(F)c1)N1CCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonylazetidine?
The InChIKey is QOCLQNDVQXUOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2S/c10-8-3-2-7(6-9(8)11)15(13,14)12-4-1-5-12/h2-3,6H,1,4-5H2.
What are the key properties of 1-(3,4-difluorophenyl)sulfonylazetidine?
1-(3,4-difluorophenyl)sulfonylazetidine has a molecular weight of 233.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonylazetidine is sourced from PubChem (CID 66681891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).