3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one

C16H13F2NO — CID 5062275

IUPAC3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccc(N2C(=O)C(F)(F)C2c2ccccc2)cc1
InChIInChI=1S/C16H13F2NO/c1-11-7-9-13(10-8-11)19-14(16(17,18)15(19)20)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeySRIZFZMBZNYAFE-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.72
Rot. Bonds2

About 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one

3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one (PubChem CID 5062275) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one
PubChem CID5062275
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccc(N2C(=O)C(F)(F)C2c2ccccc2)cc1
InChIInChI=1S/C16H13F2NO/c1-11-7-9-13(10-8-11)19-14(16(17,18)15(19)20)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeySRIZFZMBZNYAFE-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one?
The IUPAC name of 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one (CID 5062275) is 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one is Cc1ccc(N2C(=O)C(F)(F)C2c2ccccc2)cc1.
What is the InChIKey of 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one?
The InChIKey is SRIZFZMBZNYAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-11-7-9-13(10-8-11)19-14(16(17,18)15(19)20)12-5-3-2-4-6-12/h2-10,14H,1H3.
What are the key properties of 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one?
3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one has a molecular weight of 273.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 5062275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).