(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone

C21H19F3N2O2 — CID 134790611

IUPAC(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC2(CC(c3ccccc3)=NO2)C1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)17-9-7-16(8-10-17)19(27)26-12-4-11-20(14-26)13-18(25-28-20)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2
InChIKeyVDSBFYUNMHBNCP-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.50
Rot. Bonds2

About (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone

(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 134790611) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID134790611
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC2(CC(c3ccccc3)=NO2)C1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)17-9-7-16(8-10-17)19(27)26-12-4-11-20(14-26)13-18(25-28-20)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2
InChIKeyVDSBFYUNMHBNCP-UHFFFAOYSA-N
XLogP4.50
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

Biphenyl-4,4'-diylbis((3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6g)
CID 118796580
Biphenyl-4,4'-diylbis((3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6h)
CID 118796581
Phenyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
CID 134788212
2-Phenyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]ethanone
CID 134789218
(4-Tert-butylphenyl)-[3-(2-fluorophenyl)-7-propan-2-yl-1-oxa-2,7,8-triazaspiro[4.4]non-2-en-8-yl]methanone
CID 46904984
(4-Tert-butylphenyl)-[7-propan-2-yl-3-[2-(trifluoromethyl)phenyl]-1-oxa-2,7,8-triazaspiro[4.4]non-2-en-8-yl]methanone
CID 46904986
(4-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134791614
[4-(Trifluoromethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793533
2-Phenyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134800806
(2-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134800960
(4-Chlorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803050
2-(4-Fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134803142

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 134790611) is (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCCC2(CC(c3ccccc3)=NO2)C1.
What is the InChIKey of (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is VDSBFYUNMHBNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-21(23,24)17-9-7-16(8-10-17)19(27)26-12-4-11-20(14-26)13-18(25-28-20)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2.
What are the key properties of (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone?
(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 388.39 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134790611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).