4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione

C18H12F2N2O3 — CID 664631

IUPAC4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione
SMILESO=C1CC2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O3/c19-12-3-1-11(2-4-12)16-18(10-25-21-16)9-15(23)22(17(18)24)14-7-5-13(20)6-8-14/h1-8H,9-10H2
InChIKeyGLQHFFYQNBJTAH-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.65
Rot. Bonds2

About 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione

4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione (PubChem CID 664631) has the molecular formula C18H12F2N2O3 and a molecular weight of 342.30 g/mol. Its IUPAC name is 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione.

Molecular Properties

Compound Name4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione
PubChem CID664631
Molecular FormulaC18H12F2N2O3
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Name4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione
SMILESO=C1CC2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O3/c19-12-3-1-11(2-4-12)16-18(10-25-21-16)9-15(23)22(17(18)24)14-7-5-13(20)6-8-14/h1-8H,9-10H2
InChIKeyGLQHFFYQNBJTAH-UHFFFAOYSA-N
XLogP2.65
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione?
The IUPAC name of 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione (CID 664631) is 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione.
What is the SMILES notation for 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione?
The canonical SMILES for 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione is O=C1CC2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione?
The InChIKey is GLQHFFYQNBJTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O3/c19-12-3-1-11(2-4-12)16-18(10-25-21-16)9-15(23)22(17(18)24)14-7-5-13(20)6-8-14/h1-8H,9-10H2.
What are the key properties of 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione?
4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione has a molecular weight of 342.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione is sourced from PubChem (CID 664631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).