2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione

C15H15ClFNO2 — CID 122672532

IUPAC2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione
SMILESO=C1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O
InChIInChI=1S/C15H15ClFNO2/c16-12-9-10(17)1-2-13(12)18-8-7-15(14(18)20)5-3-11(19)4-6-15/h1-2,9H,3-8H2
InChIKeyXADXVHMWXABFJG-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.35
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione

2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione (PubChem CID 122672532) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione
PubChem CID122672532
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione
SMILESO=C1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O
InChIInChI=1S/C15H15ClFNO2/c16-12-9-10(17)1-2-13(12)18-8-7-15(14(18)20)5-3-11(19)4-6-15/h1-2,9H,3-8H2
InChIKeyXADXVHMWXABFJG-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione (CID 122672532) is 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione is O=C1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione?
The InChIKey is XADXVHMWXABFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c16-12-9-10(17)1-2-13(12)18-8-7-15(14(18)20)5-3-11(19)4-6-15/h1-2,9H,3-8H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione?
2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione has a molecular weight of 295.74 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decane-1,8-dione is sourced from PubChem (CID 122672532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).