2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one

C6H5ClF2N2O2 — CID 178112127

IUPAC2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)ncc1OCC(F)F
InChIInChI=1S/C6H5ClF2N2O2/c7-6-10-1-3(5(12)11-6)13-2-4(8)9/h1,4H,2H2,(H,10,11,12)
InChIKeyWHZJGVXCGUCLSV-UHFFFAOYSA-N
MW210.57 g/mol
LogP1.07
Rot. Bonds3

About 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one

2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 178112127) has the molecular formula C6H5ClF2N2O2 and a molecular weight of 210.57 g/mol. Its IUPAC name is 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
PubChem CID178112127
Molecular FormulaC6H5ClF2N2O2
Molecular Weight210.57 g/mol
Exact Mass210.00
IUPAC Name2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)ncc1OCC(F)F
InChIInChI=1S/C6H5ClF2N2O2/c7-6-10-1-3(5(12)11-6)13-2-4(8)9/h1,4H,2H2,(H,10,11,12)
InChIKeyWHZJGVXCGUCLSV-UHFFFAOYSA-N
XLogP1.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.57
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (CID 178112127) is 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is O=c1[nH]c(Cl)ncc1OCC(F)F.
What is the InChIKey of 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is WHZJGVXCGUCLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O2/c7-6-10-1-3(5(12)11-6)13-2-4(8)9/h1,4H,2H2,(H,10,11,12).
What are the key properties of 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 210.57 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 178112127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).