1-(2,2-difluoroethyl)pyrimidin-2-one

C6H6F2N2O — CID 116618292

IUPAC1-(2,2-difluoroethyl)pyrimidin-2-one
SMILESO=c1ncccn1CC(F)F
InChIInChI=1S/C6H6F2N2O/c7-5(8)4-10-3-1-2-9-6(10)11/h1-3,5H,4H2
InChIKeyXNXZDJVLFGRYEI-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.51
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrimidin-2-one

1-(2,2-difluoroethyl)pyrimidin-2-one (PubChem CID 116618292) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrimidin-2-one
PubChem CID116618292
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name1-(2,2-difluoroethyl)pyrimidin-2-one
SMILESO=c1ncccn1CC(F)F
InChIInChI=1S/C6H6F2N2O/c7-5(8)4-10-3-1-2-9-6(10)11/h1-3,5H,4H2
InChIKeyXNXZDJVLFGRYEI-UHFFFAOYSA-N
XLogP0.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrimidin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)pyrimidin-2-one (CID 116618292) is 1-(2,2-difluoroethyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrimidin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrimidin-2-one is O=c1ncccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrimidin-2-one?
The InChIKey is XNXZDJVLFGRYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-5(8)4-10-3-1-2-9-6(10)11/h1-3,5H,4H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrimidin-2-one?
1-(2,2-difluoroethyl)pyrimidin-2-one has a molecular weight of 160.12 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrimidin-2-one is sourced from PubChem (CID 116618292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).