5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one

C7H5Cl2F3N2O2 — CID 106705729

IUPAC5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1COCC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O2/c8-4-5(9)13-2-14(6(4)15)3-16-1-7(10,11)12/h2H,1,3H2
InChIKeyYQWXXYRKKJIDET-UHFFFAOYSA-N
MW277.03 g/mol
LogP2.09
Rot. Bonds3

About 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one

5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one (PubChem CID 106705729) has the molecular formula C7H5Cl2F3N2O2 and a molecular weight of 277.03 g/mol. Its IUPAC name is 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
PubChem CID106705729
Molecular FormulaC7H5Cl2F3N2O2
Molecular Weight277.03 g/mol
Exact Mass275.97
IUPAC Name5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1COCC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O2/c8-4-5(9)13-2-14(6(4)15)3-16-1-7(10,11)12/h2H,1,3H2
InChIKeyYQWXXYRKKJIDET-UHFFFAOYSA-N
XLogP2.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.03
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one (CID 106705729) is 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1COCC(F)(F)F.
What is the InChIKey of 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one?
The InChIKey is YQWXXYRKKJIDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2O2/c8-4-5(9)13-2-14(6(4)15)3-16-1-7(10,11)12/h2H,1,3H2.
What are the key properties of 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one?
5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one has a molecular weight of 277.03 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one is sourced from PubChem (CID 106705729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).