4-(3,4-difluorophenyl)sulfanylazetidin-2-one

C9H7F2NOS — CID 118526691

IUPAC4-(3,4-difluorophenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(F)c(F)c2)N1
InChIInChI=1S/C9H7F2NOS/c10-6-2-1-5(3-7(6)11)14-9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyZZEHVEGKUUFAAQ-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.90
Rot. Bonds2

About 4-(3,4-difluorophenyl)sulfanylazetidin-2-one

4-(3,4-difluorophenyl)sulfanylazetidin-2-one (PubChem CID 118526691) has the molecular formula C9H7F2NOS and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)sulfanylazetidin-2-one
PubChem CID118526691
Molecular FormulaC9H7F2NOS
Molecular Weight215.22 g/mol
Exact Mass215.02
IUPAC Name4-(3,4-difluorophenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(F)c(F)c2)N1
InChIInChI=1S/C9H7F2NOS/c10-6-2-1-5(3-7(6)11)14-9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyZZEHVEGKUUFAAQ-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)sulfanylazetidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)sulfanylazetidin-2-one (CID 118526691) is 4-(3,4-difluorophenyl)sulfanylazetidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)sulfanylazetidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)sulfanylazetidin-2-one is O=C1CC(Sc2ccc(F)c(F)c2)N1.
What is the InChIKey of 4-(3,4-difluorophenyl)sulfanylazetidin-2-one?
The InChIKey is ZZEHVEGKUUFAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NOS/c10-6-2-1-5(3-7(6)11)14-9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13).
What are the key properties of 4-(3,4-difluorophenyl)sulfanylazetidin-2-one?
4-(3,4-difluorophenyl)sulfanylazetidin-2-one has a molecular weight of 215.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)sulfanylazetidin-2-one is sourced from PubChem (CID 118526691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).