6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C11H9FN2O3 — CID 5252

IUPAC6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCOc3ccc(F)cc32)N1
InChIInChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyLXANPKRCLVQAOG-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.64
Rot. Bonds

About 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 5252) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID5252
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCOc3ccc(F)cc32)N1
InChIInChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyLXANPKRCLVQAOG-UHFFFAOYSA-N
XLogP0.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sorbinil
CID 337359
Fidarestat
CID 160024
Hydantoin, 5-(p-isopentoxyphenyl)-5-methyl-
CID 2835307
5-(4-Butoxyphenyl)-5-methyl-2,4-imidazolidinedione
CID 50211
E 0722
CID 175915
(2R,4S)-2-Aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
CID 449156
Hydantoin, 5-(p-isopropoxyphenyl)-5-methyl-
CID 3052153
2,3-Dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2',5'-dione
CID 4575557
(S,R)-fidarestat
CID 449157
5-[4-(Heptyloxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 2835311
N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
CID 3270671
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 3958821

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 5252) is 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCOc3ccc(F)cc32)N1.
What is the InChIKey of 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is LXANPKRCLVQAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16).
What are the key properties of 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 236.20 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 5252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).