(2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid

C12H9FN2O5 — CID 10107688

IUPAC(2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid
SMILESO=C1NC(=O)[C@@]2(C[C@H](C(=O)O)Oc3ccc(F)cc32)N1
InChIInChI=1S/C12H9FN2O5/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(16)17)10(18)14-11(19)15-12/h1-3,8H,4H2,(H,16,17)(H2,14,15,18,19)/t8-,12+/m1/s1
InChIKeyXEEMHUAVPICJLP-PELKAZGASA-N
MW280.21 g/mol
LogP0.10
Rot. Bonds1

About (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid

(2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid (PubChem CID 10107688) has the molecular formula C12H9FN2O5 and a molecular weight of 280.21 g/mol. Its IUPAC name is (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid
PubChem CID10107688
Molecular FormulaC12H9FN2O5
Molecular Weight280.21 g/mol
Exact Mass280.05
IUPAC Name(2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid
SMILESO=C1NC(=O)[C@@]2(C[C@H](C(=O)O)Oc3ccc(F)cc32)N1
InChIInChI=1S/C12H9FN2O5/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(16)17)10(18)14-11(19)15-12/h1-3,8H,4H2,(H,16,17)(H2,14,15,18,19)/t8-,12+/m1/s1
InChIKeyXEEMHUAVPICJLP-PELKAZGASA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid?
The IUPAC name of (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid (CID 10107688) is (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid?
The canonical SMILES for (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid is O=C1NC(=O)[C@@]2(C[C@H](C(=O)O)Oc3ccc(F)cc32)N1.
What is the InChIKey of (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid?
The InChIKey is XEEMHUAVPICJLP-PELKAZGASA-N. The full InChI is InChI=1S/C12H9FN2O5/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(16)17)10(18)14-11(19)15-12/h1-3,8H,4H2,(H,16,17)(H2,14,15,18,19)/t8-,12+/m1/s1.
What are the key properties of (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid?
(2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid has a molecular weight of 280.21 g/mol, XLogP of 0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid is sourced from PubChem (CID 10107688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).