1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one

C11H7F3N2O2 — CID 22929324

IUPAC1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one
SMILESC=Cn1c(C(F)(F)F)cc(-c2ccco2)nc1=O
InChIInChI=1S/C11H7F3N2O2/c1-2-16-9(11(12,13)14)6-7(15-10(16)17)8-4-3-5-18-8/h2-6H,1H2
InChIKeyOLOFVZSHSMUENW-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.62
Rot. Bonds2

About 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one

1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one (PubChem CID 22929324) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one
PubChem CID22929324
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one
SMILESC=Cn1c(C(F)(F)F)cc(-c2ccco2)nc1=O
InChIInChI=1S/C11H7F3N2O2/c1-2-16-9(11(12,13)14)6-7(15-10(16)17)8-4-3-5-18-8/h2-6H,1H2
InChIKeyOLOFVZSHSMUENW-UHFFFAOYSA-N
XLogP2.62
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one (CID 22929324) is 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one is C=Cn1c(C(F)(F)F)cc(-c2ccco2)nc1=O.
What is the InChIKey of 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is OLOFVZSHSMUENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c1-2-16-9(11(12,13)14)6-7(15-10(16)17)8-4-3-5-18-8/h2-6H,1H2.
What are the key properties of 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one?
1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 256.18 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 22929324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).