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

C11H8F2N2O2 — CID 43654622

IUPAC2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2ccccc2OC(F)F)[nH]1
InChIInChI=1S/C11H8F2N2O2/c12-11(13)17-8-4-2-1-3-7(8)10-14-6-5-9(16)15-10/h1-6,11H,(H,14,15,16)
InChIKeyKMNBPQZFLZYTFK-UHFFFAOYSA-N
MW238.19 g/mol
LogP2.04
Rot. Bonds3

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

2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 43654622) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID43654622
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2ccccc2OC(F)F)[nH]1
InChIInChI=1S/C11H8F2N2O2/c12-11(13)17-8-4-2-1-3-7(8)10-14-6-5-9(16)15-10/h1-6,11H,(H,14,15,16)
InChIKeyKMNBPQZFLZYTFK-UHFFFAOYSA-N
XLogP2.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one (CID 43654622) is 2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one is O=c1ccnc(-c2ccccc2OC(F)F)[nH]1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is KMNBPQZFLZYTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-11(13)17-8-4-2-1-3-7(8)10-14-6-5-9(16)15-10/h1-6,11H,(H,14,15,16).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one?
2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 238.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 43654622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).