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

C12H11F3N2O2 — CID 3059884

IUPAC3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H11F3N2O2/c1-16-10(18)5-6-17(11(16)19)9-4-2-3-8(7-9)12(13,14)15/h2-4,7H,5-6H2,1H3
InChIKeyTZYYYFDQIXIKTK-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.49
Rot. Bonds1

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

3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 3059884) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID3059884
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H11F3N2O2/c1-16-10(18)5-6-17(11(16)19)9-4-2-3-8(7-9)12(13,14)15/h2-4,7H,5-6H2,1H3
InChIKeyTZYYYFDQIXIKTK-UHFFFAOYSA-N
XLogP2.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione (CID 3059884) is 3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione is CN1C(=O)CCN(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is TZYYYFDQIXIKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-16-10(18)5-6-17(11(16)19)9-4-2-3-8(7-9)12(13,14)15/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 272.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3059884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).