4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one

C18H20F3NO2 — CID 138977292

IUPAC4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C1=CC(=O)OC12CCCCC2
InChIInChI=1S/C18H20F3NO2/c1-22(12-13-5-7-14(8-6-13)18(19,20)21)15-11-16(23)24-17(15)9-3-2-4-10-17/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyFYAIWHNSCOXUAQ-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.28
Rot. Bonds3

About 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one

4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 138977292) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID138977292
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C1=CC(=O)OC12CCCCC2
InChIInChI=1S/C18H20F3NO2/c1-22(12-13-5-7-14(8-6-13)18(19,20)21)15-11-16(23)24-17(15)9-3-2-4-10-17/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyFYAIWHNSCOXUAQ-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 684171
4-[(1-Phenylethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 2851262
ethyl (E)-3-(dimethylamino)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 124086601
4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
CID 134935376
4-[Benzyl(2,2-difluoroethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977280
Methyl 2-[3-ethylidene-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-ylidene]propanoate
CID 91140204
ethyl (Z)-2-(dibenzylamino)-4,4,4-trifluoro-3-hydroxybut-2-enoate
CID 141144161
3-[benzyl(2,2-difluoroethyl)amino]-2H-furan-5-one
CID 172557430
3-[2,2-difluoroethyl-[(4-methylphenyl)methyl]amino]-2H-furan-5-one
CID 175811442
tert-butyl 1-benzyl-2,4-dimethyl-4H-pyridine-3-carboxylate
CID 134844469
methyl (2E)-2-[(5S,6S)-5-acetyloxy-6-(acetyloxymethyl)-1-benzylpiperidin-2-ylidene]acetate
CID 134918626
4-[(4-Chlorophenyl)methyl-methylamino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977287

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one (CID 138977292) is 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one is CN(Cc1ccc(C(F)(F)F)cc1)C1=CC(=O)OC12CCCCC2.
What is the InChIKey of 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is FYAIWHNSCOXUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-22(12-13-5-7-14(8-6-13)18(19,20)21)15-11-16(23)24-17(15)9-3-2-4-10-17/h5-8,11H,2-4,9-10,12H2,1H3.
What are the key properties of 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one?
4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 339.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 138977292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).