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

C15H10F3NO — CID 2316341

IUPAC(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one
SMILESO=C1N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1(F)F
InChIInChI=1S/C15H10F3NO/c16-11-8-6-10(7-9-11)13-15(17,18)14(20)19(13)12-4-2-1-3-5-12/h1-9,13H/t13-/m0/s1
InChIKeyAEZVMCHXNAYUGS-ZDUSSCGKSA-N
MW277.25 g/mol
LogP3.55
Rot. Bonds2

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

(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one (PubChem CID 2316341) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is (4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one
PubChem CID2316341
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one
SMILESO=C1N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1(F)F
InChIInChI=1S/C15H10F3NO/c16-11-8-6-10(7-9-11)13-15(17,18)14(20)19(13)12-4-2-1-3-5-12/h1-9,13H/t13-/m0/s1
InChIKeyAEZVMCHXNAYUGS-ZDUSSCGKSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 2314764
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
CID 828811
3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one
CID 4020527
3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 4195865
(3R,4R)-3-methylsulfanyl-1,3,4-triphenylazetidin-2-one
CID 162406085
6-(4-fluorophenyl)-1-phenyl-2-phenylimino-1,3-diazinan-4-one
CID 135519639
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268
(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one
CID 124503328
(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
CID 15419094
3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
CID 43842667

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one?
The IUPAC name of (4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one (CID 2316341) is (4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one.
What is the SMILES notation for (4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one?
The canonical SMILES for (4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one is O=C1N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1(F)F.
What is the InChIKey of (4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one?
The InChIKey is AEZVMCHXNAYUGS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-11-8-6-10(7-9-11)13-15(17,18)14(20)19(13)12-4-2-1-3-5-12/h1-9,13H/t13-/m0/s1.
What are the key properties of (4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one?
(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one has a molecular weight of 277.25 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one is sourced from PubChem (CID 2316341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).