5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione

C12H11F3N2O3 — CID 106110759

IUPAC5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
SMILESCOC1CNC(=O)N(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C12H11F3N2O3/c1-20-9-6-16-11(19)17(10(9)18)8-5-3-2-4-7(8)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19)
InChIKeyQRGGPYCWBLYNGC-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.78
Rot. Bonds2

About 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione

5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 106110759) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID106110759
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
SMILESCOC1CNC(=O)N(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C12H11F3N2O3/c1-20-9-6-16-11(19)17(10(9)18)8-5-3-2-4-7(8)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19)
InChIKeyQRGGPYCWBLYNGC-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 106110763
6-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-diazepane-2,4-dione
CID 81070576
5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 114144840
(5S)-5-acetyl-1-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 98095443
(15S,19R)-17-[2-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1047514
17-[2-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 4158959
1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64955519
(3S)-3-(4-methoxyanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1143831
(3aR,4R,7S,7aR)-7-methyl-2-[2-(trifluoromethyl)phenyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 126309422
3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956531
(3R)-3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 97300292
6-(aminomethyl)-3-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009992

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione (CID 106110759) is 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione is COC1CNC(=O)N(c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is QRGGPYCWBLYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-20-9-6-16-11(19)17(10(9)18)8-5-3-2-4-7(8)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19).
What are the key properties of 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 288.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 106110759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).