(4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C20H19F2NO3 — CID 131856628

IUPAC(4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C(=O)C(F)F)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19F2NO3/c1-13(2)16-20(14-9-5-3-6-10-14,15-11-7-4-8-12-15)26-19(25)23(16)18(24)17(21)22/h3-13,16-17H,1-2H3/t16-/m0/s1
InChIKeyKWJUDRNTVGZWGL-INIZCTEOSA-N
MW359.37 g/mol
LogP4.20
Rot. Bonds4

About (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 131856628) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID131856628
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name(4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C(=O)C(F)F)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19F2NO3/c1-13(2)16-20(14-9-5-3-6-10-14,15-11-7-4-8-12-15)26-19(25)23(16)18(24)17(21)22/h3-13,16-17H,1-2H3/t16-/m0/s1
InChIKeyKWJUDRNTVGZWGL-INIZCTEOSA-N
XLogP4.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,3S,4R)-4-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 44456700
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 44444629
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)ethanone
CID 44444631
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)ethanone
CID 44444634
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)propan-1-one
CID 44444637
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)-2-methylpropan-1-one
CID 44444638
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 44444640
tert-butyl (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-phenylpyrrolidine-1-carboxylate
CID 44456703
tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
CID 44456651
tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
CID 44456866
3-Pyrrolidinol, 2-methyl-1-phenethyl-3-phenyl-, propionate (ester)
CID 3053132
1,2,4-Trimethyl-3-phenylpyrrolidin-3-yl propanoate
CID 3063630

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 131856628) is (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1N(C(=O)C(F)F)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KWJUDRNTVGZWGL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19F2NO3/c1-13(2)16-20(14-9-5-3-6-10-14,15-11-7-4-8-12-15)26-19(25)23(16)18(24)17(21)22/h3-13,16-17H,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 359.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 131856628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).