4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C16H16FNO2 — CID 3481084

IUPAC4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c17-12-5-1-9(2-6-12)8-18-15(19)13-10-3-4-11(7-10)14(13)16(18)20/h1-2,5-6,10-11,13-14H,3-4,7-8H2
InChIKeyHMGRYBCZYAORRO-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.36
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 3481084) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID3481084
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c17-12-5-1-9(2-6-12)8-18-15(19)13-10-3-4-11(7-10)14(13)16(18)20/h1-2,5-6,10-11,13-14H,3-4,7-8H2
InChIKeyHMGRYBCZYAORRO-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 3481084) is 4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1C2C3CCC(C3)C2C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is HMGRYBCZYAORRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-12-5-1-9(2-6-12)8-18-15(19)13-10-3-4-11(7-10)14(13)16(18)20/h1-2,5-6,10-11,13-14H,3-4,7-8H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 273.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 3481084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).