4-(2,4-difluorophenyl)sulfinylazetidin-2-one

C9H7F2NO2S — CID 118526576

IUPAC4-(2,4-difluorophenyl)sulfinylazetidin-2-one
SMILESO=C1CC(S(=O)c2ccc(F)cc2F)N1
InChIInChI=1S/C9H7F2NO2S/c10-5-1-2-7(6(11)3-5)15(14)9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyYULYOQWHPVPZIX-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.92
Rot. Bonds2

About 4-(2,4-difluorophenyl)sulfinylazetidin-2-one

4-(2,4-difluorophenyl)sulfinylazetidin-2-one (PubChem CID 118526576) has the molecular formula C9H7F2NO2S and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfinylazetidin-2-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfinylazetidin-2-one
PubChem CID118526576
Molecular FormulaC9H7F2NO2S
Molecular Weight231.22 g/mol
Exact Mass231.02
IUPAC Name4-(2,4-difluorophenyl)sulfinylazetidin-2-one
SMILESO=C1CC(S(=O)c2ccc(F)cc2F)N1
InChIInChI=1S/C9H7F2NO2S/c10-5-1-2-7(6(11)3-5)15(14)9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyYULYOQWHPVPZIX-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfinylazetidin-2-one?
The IUPAC name of 4-(2,4-difluorophenyl)sulfinylazetidin-2-one (CID 118526576) is 4-(2,4-difluorophenyl)sulfinylazetidin-2-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfinylazetidin-2-one?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfinylazetidin-2-one is O=C1CC(S(=O)c2ccc(F)cc2F)N1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfinylazetidin-2-one?
The InChIKey is YULYOQWHPVPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2S/c10-5-1-2-7(6(11)3-5)15(14)9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13).
What are the key properties of 4-(2,4-difluorophenyl)sulfinylazetidin-2-one?
4-(2,4-difluorophenyl)sulfinylazetidin-2-one has a molecular weight of 231.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfinylazetidin-2-one is sourced from PubChem (CID 118526576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).