6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one

C11H7F3N2O — CID 119099159

IUPAC6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)cc(C(F)F)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-7-3-1-6(2-4-7)8-5-9(10(13)14)16-11(17)15-8/h1-5,10H,(H,15,16,17)
InChIKeyVQTNMQAROJFDSM-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.51
Rot. Bonds2

About 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one

6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one (PubChem CID 119099159) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
PubChem CID119099159
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)cc(C(F)F)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-7-3-1-6(2-4-7)8-5-9(10(13)14)16-11(17)15-8/h1-5,10H,(H,15,16,17)
InChIKeyVQTNMQAROJFDSM-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one (CID 119099159) is 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one is O=c1nc(-c2ccc(F)cc2)cc(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
The InChIKey is VQTNMQAROJFDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-7-3-1-6(2-4-7)8-5-9(10(13)14)16-11(17)15-8/h1-5,10H,(H,15,16,17).
What are the key properties of 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one has a molecular weight of 240.18 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 119099159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).