(5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

C18H14F3NO3 — CID 122204128

IUPAC(5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCOC1=CC(=O)C=C[C@]12C(c1ccccc1)=C(C(F)(F)F)C(=O)N2C
InChIInChI=1S/C18H14F3NO3/c1-22-16(24)15(18(19,20)21)14(11-6-4-3-5-7-11)17(22)9-8-12(23)10-13(17)25-2/h3-10H,1-2H3/t17-/m1/s1
InChIKeyLLFNQRSTOWHAEQ-QGZVFWFLSA-N
MW349.31 g/mol
LogP2.88
Rot. Bonds2

About (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

(5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 122204128) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name(5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID122204128
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Name(5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCOC1=CC(=O)C=C[C@]12C(c1ccccc1)=C(C(F)(F)F)C(=O)N2C
InChIInChI=1S/C18H14F3NO3/c1-22-16(24)15(18(19,20)21)14(11-6-4-3-5-7-11)17(22)9-8-12(23)10-13(17)25-2/h3-10H,1-2H3/t17-/m1/s1
InChIKeyLLFNQRSTOWHAEQ-QGZVFWFLSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-6-methyl-4-phenyl-3-(trifluoromethyl)-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 122204133
3'-(2-methoxyphenyl)-2'-(trifluoromethyl)spiro[cyclohexa-2,5-diene-4,4'-naphthalene]-1,1'-dione
CID 164844262
3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 122187196
1-methyl-3-nitro-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 122219358
1,3'-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
CID 10612102
8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione
CID 73294383
4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one
CID 15732556
3-butanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 162408813
5-methoxy-8-phenyl-1H-azocin-2-one
CID 71340182
8-tert-butylperoxy-1,8-dimethyl-4-phenyl-3-(trifluoromethylsulfanyl)-1-azaspiro[4.5]deca-3,6,9-trien-2-one
CID 139048789
3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-di(16O,18O)one
CID 57343484
3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 162408814

Frequently Asked Questions

What is the IUPAC name of (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 122204128) is (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is COC1=CC(=O)C=C[C@]12C(c1ccccc1)=C(C(F)(F)F)C(=O)N2C.
What is the InChIKey of (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is LLFNQRSTOWHAEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14F3NO3/c1-22-16(24)15(18(19,20)21)14(11-6-4-3-5-7-11)17(22)9-8-12(23)10-13(17)25-2/h3-10H,1-2H3/t17-/m1/s1.
What are the key properties of (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
(5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 349.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-methoxy-1-methyl-4-phenyl-3-(trifluoromethyl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 122204128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).