2-(1,1-difluoroethyl)-1H-pyrimidin-6-one

C6H6F2N2O — CID 22180793

IUPAC2-(1,1-difluoroethyl)-1H-pyrimidin-6-one
SMILESCC(F)(F)c1nccc(=O)[nH]1
InChIInChI=1S/C6H6F2N2O/c1-6(7,8)5-9-3-2-4(11)10-5/h2-3H,1H3,(H,9,10,11)
InChIKeyOOHXQWUFLVLCFY-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.88
Rot. Bonds1

About 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one

2-(1,1-difluoroethyl)-1H-pyrimidin-6-one (PubChem CID 22180793) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1H-pyrimidin-6-one
PubChem CID22180793
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2-(1,1-difluoroethyl)-1H-pyrimidin-6-one
SMILESCC(F)(F)c1nccc(=O)[nH]1
InChIInChI=1S/C6H6F2N2O/c1-6(7,8)5-9-3-2-4(11)10-5/h2-3H,1H3,(H,9,10,11)
InChIKeyOOHXQWUFLVLCFY-UHFFFAOYSA-N
XLogP0.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one (CID 22180793) is 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one is CC(F)(F)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is OOHXQWUFLVLCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-6(7,8)5-9-3-2-4(11)10-5/h2-3H,1H3,(H,9,10,11).
What are the key properties of 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
2-(1,1-difluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 160.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 22180793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).