6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione

C12H11F3N2O4 — CID 134101884

IUPAC6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESCN1C(=O)N(c2ccc(O)cc2)C(=O)CC1(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O4/c1-16-10(20)17(7-2-4-8(18)5-3-7)9(19)6-11(16,21)12(13,14)15/h2-5,18,21H,6H2,1H3
InChIKeyCAHRLGCUEWOWQG-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.43
Rot. Bonds1

About 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione

6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione (PubChem CID 134101884) has the molecular formula C12H11F3N2O4 and a molecular weight of 304.22 g/mol. Its IUPAC name is 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
PubChem CID134101884
Molecular FormulaC12H11F3N2O4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESCN1C(=O)N(c2ccc(O)cc2)C(=O)CC1(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O4/c1-16-10(20)17(7-2-4-8(18)5-3-7)9(19)6-11(16,21)12(13,14)15/h2-5,18,21H,6H2,1H3
InChIKeyCAHRLGCUEWOWQG-UHFFFAOYSA-N
XLogP1.43
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione (CID 134101884) is 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione is CN1C(=O)N(c2ccc(O)cc2)C(=O)CC1(O)C(F)(F)F.
What is the InChIKey of 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The InChIKey is CAHRLGCUEWOWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4/c1-16-10(20)17(7-2-4-8(18)5-3-7)9(19)6-11(16,21)12(13,14)15/h2-5,18,21H,6H2,1H3.
What are the key properties of 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione?
6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione has a molecular weight of 304.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 134101884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).