1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione

C8H9F3N2O4 — CID 11550598

IUPAC1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O4/c9-8(10,11)5-3-13(4-17-2-1-14)7(16)12-6(5)15/h3,14H,1-2,4H2,(H,12,15,16)
InChIKeyOWCMCWCMGDILNA-UHFFFAOYSA-N
MW254.16 g/mol
LogP-0.48
Rot. Bonds4

About 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione

1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 11550598) has the molecular formula C8H9F3N2O4 and a molecular weight of 254.16 g/mol. Its IUPAC name is 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID11550598
Molecular FormulaC8H9F3N2O4
Molecular Weight254.16 g/mol
Exact Mass254.05
IUPAC Name1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O4/c9-8(10,11)5-3-13(4-17-2-1-14)7(16)12-6(5)15/h3,14H,1-2,4H2,(H,12,15,16)
InChIKeyOWCMCWCMGDILNA-UHFFFAOYSA-N
XLogP-0.48
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 11550598) is 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(COCCO)cc1C(F)(F)F.
What is the InChIKey of 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is OWCMCWCMGDILNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O4/c9-8(10,11)5-3-13(4-17-2-1-14)7(16)12-6(5)15/h3,14H,1-2,4H2,(H,12,15,16).
What are the key properties of 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 254.16 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11550598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).