2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

C15H17FN2O3 — CID 13036729

IUPAC2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCC1(CC)CC2(NC(=O)NC2=O)c2cc(F)ccc2O1
InChIInChI=1S/C15H17FN2O3/c1-3-14(4-2)8-15(12(19)17-13(20)18-15)10-7-9(16)5-6-11(10)21-14/h5-7H,3-4,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyDSSSUYIMWDSVDA-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.20
Rot. Bonds2

About 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 13036729) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID13036729
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCC1(CC)CC2(NC(=O)NC2=O)c2cc(F)ccc2O1
InChIInChI=1S/C15H17FN2O3/c1-3-14(4-2)8-15(12(19)17-13(20)18-15)10-7-9(16)5-6-11(10)21-14/h5-7H,3-4,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyDSSSUYIMWDSVDA-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (CID 13036729) is 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is CCC1(CC)CC2(NC(=O)NC2=O)c2cc(F)ccc2O1.
What is the InChIKey of 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is DSSSUYIMWDSVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-3-14(4-2)8-15(12(19)17-13(20)18-15)10-7-9(16)5-6-11(10)21-14/h5-7H,3-4,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 292.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 13036729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).