5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one

C18H21F3N2O2 — CID 76684914

IUPAC5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)8-4-7-16(24)23-11-9-17(10-12-23)13-15(22-25-17)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyOUGVQVVXEDOYTC-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.90
Rot. Bonds4

About 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one

5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one (PubChem CID 76684914) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
PubChem CID76684914
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)8-4-7-16(24)23-11-9-17(10-12-23)13-15(22-25-17)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyOUGVQVVXEDOYTC-UHFFFAOYSA-N
XLogP3.90
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one (CID 76684914) is 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one is O=C(CCCC(F)(F)F)N1CCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one?
The InChIKey is OUGVQVVXEDOYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c19-18(20,21)8-4-7-16(24)23-11-9-17(10-12-23)13-15(22-25-17)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2.
What are the key properties of 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one?
5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one has a molecular weight of 354.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one is sourced from PubChem (CID 76684914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).