(4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one

C16H13F2NO — CID 7742122

IUPAC(4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C16H13F2NO/c17-16(18)14(13-9-5-2-6-10-13)19(15(16)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2/t14-/m0/s1
InChIKeyOQQTXISKEIWVMB-AWEZNQCLSA-N
MW273.28 g/mol
LogP3.41
Rot. Bonds3

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

(4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one (PubChem CID 7742122) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is (4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one
PubChem CID7742122
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name(4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C16H13F2NO/c17-16(18)14(13-9-5-2-6-10-13)19(15(16)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2/t14-/m0/s1
InChIKeyOQQTXISKEIWVMB-AWEZNQCLSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one?
The IUPAC name of (4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one (CID 7742122) is (4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one.
What is the SMILES notation for (4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one?
The canonical SMILES for (4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one is O=C1N(Cc2ccccc2)[C@@H](c2ccccc2)C1(F)F.
What is the InChIKey of (4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one?
The InChIKey is OQQTXISKEIWVMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-16(18)14(13-9-5-2-6-10-13)19(15(16)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2/t14-/m0/s1.
What are the key properties of (4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one?
(4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one has a molecular weight of 273.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one is sourced from PubChem (CID 7742122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).