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

C6H4Cl2F2N2O — CID 114583076

IUPAC5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC(F)F
InChIInChI=1S/C6H4Cl2F2N2O/c7-4-5(8)11-2-12(6(4)13)1-3(9)10/h2-3H,1H2
InChIKeyDTPLGDZILPXRJQ-UHFFFAOYSA-N
MW229.01 g/mol
LogP1.82
Rot. Bonds2

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

5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one (PubChem CID 114583076) has the molecular formula C6H4Cl2F2N2O and a molecular weight of 229.01 g/mol. Its IUPAC name is 5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
PubChem CID114583076
Molecular FormulaC6H4Cl2F2N2O
Molecular Weight229.01 g/mol
Exact Mass227.97
IUPAC Name5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC(F)F
InChIInChI=1S/C6H4Cl2F2N2O/c7-4-5(8)11-2-12(6(4)13)1-3(9)10/h2-3H,1H2
InChIKeyDTPLGDZILPXRJQ-UHFFFAOYSA-N
XLogP1.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.01
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705729
5,6-Dichloro-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 113604310
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
6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
5,6-Dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5,6-Dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582924
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-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114583103
5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one (CID 114583076) is 5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CC(F)F.
What is the InChIKey of 5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one?
The InChIKey is DTPLGDZILPXRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F2N2O/c7-4-5(8)11-2-12(6(4)13)1-3(9)10/h2-3H,1H2.
What are the key properties of 5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one?
5,6-dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one has a molecular weight of 229.01 g/mol, XLogP of 1.82, 2 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-difluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 114583076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).