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

C6H3Cl2F3N2O — CID 114582924

IUPAC5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC(F)(F)F
InChIInChI=1S/C6H3Cl2F3N2O/c7-3-4(8)12-2-13(5(3)14)1-6(9,10)11/h2H,1H2
InChIKeyWUPXWYBBWASKOQ-UHFFFAOYSA-N
MW247.00 g/mol
LogP2.11
Rot. Bonds1

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

5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (PubChem CID 114582924) has the molecular formula C6H3Cl2F3N2O and a molecular weight of 247.00 g/mol. Its IUPAC name is 5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
PubChem CID114582924
Molecular FormulaC6H3Cl2F3N2O
Molecular Weight247.00 g/mol
Exact Mass245.96
IUPAC Name5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC(F)(F)F
InChIInChI=1S/C6H3Cl2F3N2O/c7-3-4(8)12-2-13(5(3)14)1-6(9,10)11/h2H,1H2
InChIKeyWUPXWYBBWASKOQ-UHFFFAOYSA-N
XLogP2.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582043
6-Chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582055
6-Chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582209
5,6-Dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5,6-Dichloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114583013
5,6-Dichloro-3-(difluoromethyl)pyrimidin-4-one
CID 114583055
5,6-Dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114583076
5,6-Dichloro-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114583103
5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
5,6-Dichloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583250
5,6-Dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114583292
5-Bromo-6-chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114583350

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (CID 114582924) is 5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CC(F)(F)F.
What is the InChIKey of 5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The InChIKey is WUPXWYBBWASKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2O/c7-3-4(8)12-2-13(5(3)14)1-6(9,10)11/h2H,1H2.
What are the key properties of 5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one has a molecular weight of 247.00 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 114582924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).