2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one

C19H23F3N2O2 — CID 134803318

IUPAC2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)c1)=NO2
InChIInChI=1S/C19H23F3N2O2/c1-17(2,3)16(25)24-9-7-18(8-10-24)12-15(23-26-18)13-5-4-6-14(11-13)19(20,21)22/h4-6,11H,7-10,12H2,1-3H3
InChIKeyQMXUJIXMWPBSSW-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.24
Rot. Bonds1

About 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one

2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one (PubChem CID 134803318) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one
PubChem CID134803318
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)c1)=NO2
InChIInChI=1S/C19H23F3N2O2/c1-17(2,3)16(25)24-9-7-18(8-10-24)12-15(23-26-18)13-5-4-6-14(11-13)19(20,21)22/h4-6,11H,7-10,12H2,1-3H3
InChIKeyQMXUJIXMWPBSSW-UHFFFAOYSA-N
XLogP4.24
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sMARt-420
CID 75593322
2-Phenyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]ethanone
CID 134789218
2-Phenyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134800806
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 134801630
Cyclopropyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134801980
2-Chloro-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134802407
2-(4-Fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134803142
Cyclopentyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803523
Cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
CID 134787769
9-(Cyclohexylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134788760
9-(Cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134789533
9-(3-Methylbutyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134794441

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one (CID 134803318) is 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one is CC(C)(C)C(=O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)c1)=NO2.
What is the InChIKey of 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one?
The InChIKey is QMXUJIXMWPBSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-17(2,3)16(25)24-9-7-18(8-10-24)12-15(23-26-18)13-5-4-6-14(11-13)19(20,21)22/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one?
2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one has a molecular weight of 368.40 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one is sourced from PubChem (CID 134803318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).