3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C20H17F3N2O4 — CID 60524392

IUPAC3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCOc3ccccc32)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)12-29-14-7-5-13(6-8-14)11-25-17(26)19(24-18(25)27)9-10-28-16-4-2-1-3-15(16)19/h1-8H,9-12H2,(H,24,27)
InChIKeyUZDWKZROMRBVIC-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.36
Rot. Bonds4

About 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 60524392) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID60524392
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCOc3ccccc32)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)12-29-14-7-5-13(6-8-14)11-25-17(26)19(24-18(25)27)9-10-28-16-4-2-1-3-15(16)19/h1-8H,9-12H2,(H,24,27)
InChIKeyUZDWKZROMRBVIC-UHFFFAOYSA-N
XLogP3.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
3'-(2-phenoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 4876938
3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 4883616
(4S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 8005827
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
(4R)-3'-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41096525
3'-(2-hydroxy-3-phenoxypropyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17446580
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17405515
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742
3'-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46797704
methyl 3-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]benzoate
CID 25387050

Frequently Asked Questions

What is the IUPAC name of 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 60524392) is 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCOc3ccccc32)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is UZDWKZROMRBVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c21-20(22,23)12-29-14-7-5-13(6-8-14)11-25-17(26)19(24-18(25)27)9-10-28-16-4-2-1-3-15(16)19/h1-8H,9-12H2,(H,24,27).
What are the key properties of 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 406.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 60524392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).