(4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C11H9FN2O3 — CID 15572743

IUPAC(4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILES[2H]c1cc(F)cc2c1OCC[C@]21NC(=O)NC1=O
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)/t11-/m0/s1/i2D
InChIKeyLXANPKRCLVQAOG-LZBNNVMXSA-N
MW237.21 g/mol
LogP0.64
Rot. Bonds

About (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 15572743) has the molecular formula C11H9FN2O3 and a molecular weight of 237.21 g/mol. Its IUPAC name is (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID15572743
Molecular FormulaC11H9FN2O3
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name(4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILES[2H]c1cc(F)cc2c1OCC[C@]21NC(=O)NC1=O
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)/t11-/m0/s1/i2D
InChIKeyLXANPKRCLVQAOG-LZBNNVMXSA-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 ≤ 500237.21
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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Frequently Asked Questions

What is the IUPAC name of (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 15572743) is (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is [2H]c1cc(F)cc2c1OCC[C@]21NC(=O)NC1=O.
What is the InChIKey of (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is LXANPKRCLVQAOG-LZBNNVMXSA-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)/t11-/m0/s1/i2D.
What are the key properties of (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 237.21 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 (4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 15572743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).