5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione

C16H18FNO3 — CID 79437498

IUPAC5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
SMILESO=C1CC2(CCCOCC2)C(c2ccccc2F)C(=O)N1
InChIInChI=1S/C16H18FNO3/c17-12-5-2-1-4-11(12)14-15(20)18-13(19)10-16(14)6-3-8-21-9-7-16/h1-2,4-5,14H,3,6-10H2,(H,18,19,20)
InChIKeyJVYXLFJZFFGKRH-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.14
Rot. Bonds1

About 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione

5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione (PubChem CID 79437498) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione.

Molecular Properties

Compound Name5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
PubChem CID79437498
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
SMILESO=C1CC2(CCCOCC2)C(c2ccccc2F)C(=O)N1
InChIInChI=1S/C16H18FNO3/c17-12-5-2-1-4-11(12)14-15(20)18-13(19)10-16(14)6-3-8-21-9-7-16/h1-2,4-5,14H,3,6-10H2,(H,18,19,20)
InChIKeyJVYXLFJZFFGKRH-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione?
The IUPAC name of 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione (CID 79437498) is 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione.
What is the SMILES notation for 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione?
The canonical SMILES for 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione is O=C1CC2(CCCOCC2)C(c2ccccc2F)C(=O)N1.
What is the InChIKey of 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione?
The InChIKey is JVYXLFJZFFGKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-12-5-2-1-4-11(12)14-15(20)18-13(19)10-16(14)6-3-8-21-9-7-16/h1-2,4-5,14H,3,6-10H2,(H,18,19,20).
What are the key properties of 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione?
5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione has a molecular weight of 291.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione is sourced from PubChem (CID 79437498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).