2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione

C16H16F3NO2 — CID 58230172

IUPAC2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione
SMILESO=C1CCC2(CC1)CCN(c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)11-1-3-12(4-2-11)20-10-9-15(14(20)22)7-5-13(21)6-8-15/h1-4H,5-10H2
InChIKeyYOICLXJOWBCHCO-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.57
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione

2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione (PubChem CID 58230172) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione
PubChem CID58230172
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione
SMILESO=C1CCC2(CC1)CCN(c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)11-1-3-12(4-2-11)20-10-9-15(14(20)22)7-5-13(21)6-8-15/h1-4H,5-10H2
InChIKeyYOICLXJOWBCHCO-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione (CID 58230172) is 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione is O=C1CCC2(CC1)CCN(c1ccc(C(F)(F)F)cc1)C2=O.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione?
The InChIKey is YOICLXJOWBCHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c17-16(18,19)11-1-3-12(4-2-11)20-10-9-15(14(20)22)7-5-13(21)6-8-15/h1-4H,5-10H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione?
2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione has a molecular weight of 311.30 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione is sourced from PubChem (CID 58230172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).