6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one

C18H12F4N2O — CID 30868604

IUPAC6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccc(F)cc2)ncn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F4N2O/c19-15-6-4-13(5-7-15)16-9-17(25)24(11-23-16)10-12-2-1-3-14(8-12)18(20,21)22/h1-9,11H,10H2
InChIKeyFDZIAHPFQWSDMU-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.12
Rot. Bonds3

About 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one

6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one (PubChem CID 30868604) has the molecular formula C18H12F4N2O and a molecular weight of 348.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
PubChem CID30868604
Molecular FormulaC18H12F4N2O
Molecular Weight348.30 g/mol
Exact Mass348.09
IUPAC Name6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccc(F)cc2)ncn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F4N2O/c19-15-6-4-13(5-7-15)16-9-17(25)24(11-23-16)10-12-2-1-3-14(8-12)18(20,21)22/h1-9,11H,10H2
InChIKeyFDZIAHPFQWSDMU-UHFFFAOYSA-N
XLogP4.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one (CID 30868604) is 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one is O=c1cc(-c2ccc(F)cc2)ncn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one?
The InChIKey is FDZIAHPFQWSDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O/c19-15-6-4-13(5-7-15)16-9-17(25)24(11-23-16)10-12-2-1-3-14(8-12)18(20,21)22/h1-9,11H,10H2.
What are the key properties of 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one?
6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one has a molecular weight of 348.30 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 30868604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).