4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

C7H7F3N2O3 — CID 103473468

IUPAC4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(COCC(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)3-15-2-4-11-5(13)1-6(14)12-4/h1H,2-3H2,(H2,11,12,13,14)
InChIKeyOCFHOCQVDMXCOB-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.55
Rot. Bonds3

About 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 103473468) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
PubChem CID103473468
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(COCC(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)3-15-2-4-11-5(13)1-6(14)12-4/h1H,2-3H2,(H2,11,12,13,14)
InChIKeyOCFHOCQVDMXCOB-UHFFFAOYSA-N
XLogP0.55
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (CID 103473468) is 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(COCC(F)(F)F)[nH]1.
What is the InChIKey of 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is OCFHOCQVDMXCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)3-15-2-4-11-5(13)1-6(14)12-4/h1H,2-3H2,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 224.14 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103473468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).