(3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one

C23H17F4NO — CID 71568858

IUPAC(3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@@H](c2ccccc2)[C@]1(F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F4NO/c24-22(18-11-13-19(14-12-18)23(25,26)27)20(17-9-5-2-6-10-17)28(21(22)29)15-16-7-3-1-4-8-16/h1-14,20H,15H2/t20-,22+/m0/s1
InChIKeyJNFMNDJKWBDQQV-RBBKRZOGSA-N
MW399.39 g/mol
LogP5.65
Rot. Bonds4

About (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one

(3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 71568858) has the molecular formula C23H17F4NO and a molecular weight of 399.39 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID71568858
Molecular FormulaC23H17F4NO
Molecular Weight399.39 g/mol
Exact Mass399.12
IUPAC Name(3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@@H](c2ccccc2)[C@]1(F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F4NO/c24-22(18-11-13-19(14-12-18)23(25,26)27)20(17-9-5-2-6-10-17)28(21(22)29)15-16-7-3-1-4-8-16/h1-14,20H,15H2/t20-,22+/m0/s1
InChIKeyJNFMNDJKWBDQQV-RBBKRZOGSA-N
XLogP5.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
CID 102203464
3-acetyl-4-hydroxy-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 10177458
(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 10763812
(1R,4S)-2-benzyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one
CID 11818658
1-benzyl-3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
CID 86616586
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
CID 101435027
methyl 5-oxo-3,4-diphenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyrrole-2-carboxylate
CID 166447882
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide
CID 101407341
2-[1-benzyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetaldehyde
CID 18333230

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one (CID 71568858) is (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one is O=C1N(Cc2ccccc2)[C@@H](c2ccccc2)[C@]1(F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is JNFMNDJKWBDQQV-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H17F4NO/c24-22(18-11-13-19(14-12-18)23(25,26)27)20(17-9-5-2-6-10-17)28(21(22)29)15-16-7-3-1-4-8-16/h1-14,20H,15H2/t20-,22+/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one?
(3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 399.39 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 71568858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).