3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

C21H18F3NO5 — CID 119038430

IUPAC3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
SMILESO=C1OC2(CCc3ccccc32)C(=O)N1CC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3NO5/c22-21(23,24)14-5-3-6-16(10-14)29-12-15(26)11-25-18(27)20(30-19(25)28)9-8-13-4-1-2-7-17(13)20/h1-7,10,15,26H,8-9,11-12H2
InChIKeyPIQIVOCVWCNXOT-UHFFFAOYSA-N
MW421.37 g/mol
LogP3.27
Rot. Bonds5

About 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (PubChem CID 119038430) has the molecular formula C21H18F3NO5 and a molecular weight of 421.37 g/mol. Its IUPAC name is 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
PubChem CID119038430
Molecular FormulaC21H18F3NO5
Molecular Weight421.37 g/mol
Exact Mass421.11
IUPAC Name3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
SMILESO=C1OC2(CCc3ccccc32)C(=O)N1CC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3NO5/c22-21(23,24)14-5-3-6-16(10-14)29-12-15(26)11-25-18(27)20(30-19(25)28)9-8-13-4-1-2-7-17(13)20/h1-7,10,15,26H,8-9,11-12H2
InChIKeyPIQIVOCVWCNXOT-UHFFFAOYSA-N
XLogP3.27
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (CID 119038430) is 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is O=C1OC2(CCc3ccccc32)C(=O)N1CC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
The InChIKey is PIQIVOCVWCNXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO5/c22-21(23,24)14-5-3-6-16(10-14)29-12-15(26)11-25-18(27)20(30-19(25)28)9-8-13-4-1-2-7-17(13)20/h1-7,10,15,26H,8-9,11-12H2.
What are the key properties of 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?
3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione has a molecular weight of 421.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is sourced from PubChem (CID 119038430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).