[2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite

C14H11FN2O3S — CID 145101572

IUPAC[2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite
SMILESC=C(OCC)c1nc2c(=O)oc3ccccc3c2n1SF
InChIInChI=1S/C14H11FN2O3S/c1-3-19-8(2)13-16-11-12(17(13)21-15)9-6-4-5-7-10(9)20-14(11)18/h4-7H,2-3H2,1H3
InChIKeyAWAUVEFXQYUVHQ-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.53
Rot. Bonds4

About [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite

[2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite (PubChem CID 145101572) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite
PubChem CID145101572
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name[2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite
SMILESC=C(OCC)c1nc2c(=O)oc3ccccc3c2n1SF
InChIInChI=1S/C14H11FN2O3S/c1-3-19-8(2)13-16-11-12(17(13)21-15)9-6-4-5-7-10(9)20-14(11)18/h4-7H,2-3H2,1H3
InChIKeyAWAUVEFXQYUVHQ-UHFFFAOYSA-N
XLogP3.53
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite?
The IUPAC name of [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite (CID 145101572) is [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite.
What is the SMILES notation for [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite?
The canonical SMILES for [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite is C=C(OCC)c1nc2c(=O)oc3ccccc3c2n1SF.
What is the InChIKey of [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite?
The InChIKey is AWAUVEFXQYUVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c1-3-19-8(2)13-16-11-12(17(13)21-15)9-6-4-5-7-10(9)20-14(11)18/h4-7H,2-3H2,1H3.
What are the key properties of [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite?
[2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite has a molecular weight of 306.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxyethenyl)-4-oxochromeno[3,4-d]imidazol-1-yl] thiohypofluorite is sourced from PubChem (CID 145101572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).