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

C16H13F2NO — CID 7742121

IUPAC(4R)-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-/m1/s1
InChIKeyOQQTXISKEIWVMB-CQSZACIVSA-N
MW273.28 g/mol
LogP3.41
Rot. Bonds3

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

(4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one (PubChem CID 7742121) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is (4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one
PubChem CID7742121
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name(4R)-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-/m1/s1
InChIKeyOQQTXISKEIWVMB-CQSZACIVSA-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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Related Compounds

4-Phenylazetidin-2-one
CID 568818
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(3-trifluoromethyl-phenyl)-acetamide
CID 10249808
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(2-trifluoromethyl-phenyl)-acetamide
CID 10410240
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
N-Benzyl-N-methyl-2-phenylacetamide
CID 692800
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]ethan-1-one
CID 10357373
3,3-Difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 5062275
N-benzyl-N-methyl-3-phenylpropanamide
CID 670103
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one?
The IUPAC name of (4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one (CID 7742121) is (4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one?
The canonical SMILES for (4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one is O=C1N(Cc2ccccc2)[C@H](c2ccccc2)C1(F)F.
What is the InChIKey of (4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one?
The InChIKey is OQQTXISKEIWVMB-CQSZACIVSA-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-/m1/s1.
What are the key properties of (4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one?
(4R)-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 (4R)-1-benzyl-3,3-difluoro-4-phenylazetidin-2-one is sourced from PubChem (CID 7742121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).