2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one

C13H10F2N2O2 — CID 71871881

IUPAC2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(C=Cc2ccc(OC(F)F)cc2)[nH]1
InChIInChI=1S/C13H10F2N2O2/c14-13(15)19-10-4-1-9(2-5-10)3-6-11-16-8-7-12(18)17-11/h1-8,13H,(H,16,17,18)
InChIKeyLQMAFMYEPSNESX-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.54
Rot. Bonds4

About 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one

2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one (PubChem CID 71871881) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
PubChem CID71871881
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(C=Cc2ccc(OC(F)F)cc2)[nH]1
InChIInChI=1S/C13H10F2N2O2/c14-13(15)19-10-4-1-9(2-5-10)3-6-11-16-8-7-12(18)17-11/h1-8,13H,(H,16,17,18)
InChIKeyLQMAFMYEPSNESX-UHFFFAOYSA-N
XLogP2.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one (CID 71871881) is 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one is O=c1ccnc(C=Cc2ccc(OC(F)F)cc2)[nH]1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one?
The InChIKey is LQMAFMYEPSNESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-13(15)19-10-4-1-9(2-5-10)3-6-11-16-8-7-12(18)17-11/h1-8,13H,(H,16,17,18).
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one?
2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one has a molecular weight of 264.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 71871881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).