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

C16H13F2NO2 — CID 1217499

IUPAC(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
SMILESCOc1ccc([C@H]2N(c3ccccc3)C(=O)C2(F)F)cc1
InChIInChI=1S/C16H13F2NO2/c1-21-13-9-7-11(8-10-13)14-16(17,18)15(20)19(14)12-5-3-2-4-6-12/h2-10,14H,1H3/t14-/m1/s1
InChIKeyAIIIYUSGINMZMS-CQSZACIVSA-N
MW289.28 g/mol
LogP3.42
Rot. Bonds3

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

(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one (PubChem CID 1217499) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
PubChem CID1217499
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
SMILESCOc1ccc([C@H]2N(c3ccccc3)C(=O)C2(F)F)cc1
InChIInChI=1S/C16H13F2NO2/c1-21-13-9-7-11(8-10-13)14-16(17,18)15(20)19(14)12-5-3-2-4-6-12/h2-10,14H,1H3/t14-/m1/s1
InChIKeyAIIIYUSGINMZMS-CQSZACIVSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
CID 828811
3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 4195865
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
(2S,3R)-2-fluoro-3-(4-methoxyphenyl)-1,2-diphenylaziridine
CID 11544255
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 102159226
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium
CID 11092078
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
(3S,4R)-3-(4-methoxyphenyl)-1,4-diphenyl-3-(2-phenylprop-2-enyl)azetidin-2-one
CID 162417821
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 11661663
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The IUPAC name of (4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one (CID 1217499) is (4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one.
What is the SMILES notation for (4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The canonical SMILES for (4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one is COc1ccc([C@H]2N(c3ccccc3)C(=O)C2(F)F)cc1.
What is the InChIKey of (4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The InChIKey is AIIIYUSGINMZMS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-21-13-9-7-11(8-10-13)14-16(17,18)15(20)19(14)12-5-3-2-4-6-12/h2-10,14H,1H3/t14-/m1/s1.
What are the key properties of (4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one has a molecular weight of 289.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one is sourced from PubChem (CID 1217499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).