(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C13H11F3N2O2 — CID 99616144

IUPAC(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)7-18-10(19)12(17-11(18)20)6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2,(H,17,20)/t12-/m0/s1
InChIKeyIVDXTUQGNMUPQV-LBPRGKRZSA-N
MW284.24 g/mol
LogP1.94
Rot. Bonds1

About (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 99616144) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID99616144
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)7-18-10(19)12(17-11(18)20)6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2,(H,17,20)/t12-/m0/s1
InChIKeyIVDXTUQGNMUPQV-LBPRGKRZSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
3'-[(1-hydroxycyclohexyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 47556160
(3S)-3'-[(4-tert-butylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40857295
3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 3989090
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 84601499
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7859107
tert-butyl 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetate
CID 40857312
3'-[2-(4-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51075560
3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166197842
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974

Frequently Asked Questions

What is the IUPAC name of (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 99616144) is (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(F)(F)F.
What is the InChIKey of (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is IVDXTUQGNMUPQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)7-18-10(19)12(17-11(18)20)6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2,(H,17,20)/t12-/m0/s1.
What are the key properties of (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 284.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 99616144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).