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

C9H7F2NO — CID 64665569

IUPAC4-(3,4-difluorophenyl)azetidin-2-one
SMILESO=C1CC(c2ccc(F)c(F)c2)N1
InChIInChI=1S/C9H7F2NO/c10-6-2-1-5(3-7(6)11)8-4-9(13)12-8/h1-3,8H,4H2,(H,12,13)
InChIKeyZNILBMZLBVEOCF-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.53
Rot. Bonds1

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

4-(3,4-difluorophenyl)azetidin-2-one (PubChem CID 64665569) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)azetidin-2-one
PubChem CID64665569
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name4-(3,4-difluorophenyl)azetidin-2-one
SMILESO=C1CC(c2ccc(F)c(F)c2)N1
InChIInChI=1S/C9H7F2NO/c10-6-2-1-5(3-7(6)11)8-4-9(13)12-8/h1-3,8H,4H2,(H,12,13)
InChIKeyZNILBMZLBVEOCF-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)azetidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)azetidin-2-one (CID 64665569) is 4-(3,4-difluorophenyl)azetidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)azetidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)azetidin-2-one is O=C1CC(c2ccc(F)c(F)c2)N1.
What is the InChIKey of 4-(3,4-difluorophenyl)azetidin-2-one?
The InChIKey is ZNILBMZLBVEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c10-6-2-1-5(3-7(6)11)8-4-9(13)12-8/h1-3,8H,4H2,(H,12,13).
What are the key properties of 4-(3,4-difluorophenyl)azetidin-2-one?
4-(3,4-difluorophenyl)azetidin-2-one has a molecular weight of 183.16 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)azetidin-2-one is sourced from PubChem (CID 64665569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).