(4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

C16H9F6NO — CID 2314764

IUPAC(4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1(F)F
InChIInChI=1S/C16H9F6NO/c17-11-6-4-9(5-7-11)13-15(18,19)14(24)23(13)12-3-1-2-10(8-12)16(20,21)22/h1-8,13H/t13-/m1/s1
InChIKeyANVZUBJKXRJHBJ-CYBMUJFWSA-N
MW345.24 g/mol
LogP4.57
Rot. Bonds2

About (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

(4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 2314764) has the molecular formula C16H9F6NO and a molecular weight of 345.24 g/mol. Its IUPAC name is (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID2314764
Molecular FormulaC16H9F6NO
Molecular Weight345.24 g/mol
Exact Mass345.06
IUPAC Name(4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1(F)F
InChIInChI=1S/C16H9F6NO/c17-11-6-4-9(5-7-11)13-15(18,19)14(24)23(13)12-3-1-2-10(8-12)16(20,21)22/h1-8,13H/t13-/m1/s1
InChIKeyANVZUBJKXRJHBJ-CYBMUJFWSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-(3,4-dimethoxyphenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 2311624
(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one
CID 2316341
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 58045036
(5R)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 40936943
2-(4-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108679422
2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3865771
(2R,6R,7S)-7-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 98344804
3-(4-fluorophenyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 3794702
(5R)-5-(4-fluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 41038839
(4E)-4-[(4-chloro-2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 108679375
(2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 1037972
(3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 7209562

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one (CID 2314764) is (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one is O=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1(F)F.
What is the InChIKey of (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is ANVZUBJKXRJHBJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H9F6NO/c17-11-6-4-9(5-7-11)13-15(18,19)14(24)23(13)12-3-1-2-10(8-12)16(20,21)22/h1-8,13H/t13-/m1/s1.
What are the key properties of (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
(4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 345.24 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 2314764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).