3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one

C11H8F2N2O2 — CID 58589509

IUPAC3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one
SMILESO=c1ccncn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H8F2N2O2/c12-11(13)17-9-3-1-8(2-4-9)15-7-14-6-5-10(15)16/h1-7,11H
InChIKeyZEEGVYGAKGZKBR-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.83
Rot. Bonds3

About 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one

3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one (PubChem CID 58589509) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one
PubChem CID58589509
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one
SMILESO=c1ccncn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H8F2N2O2/c12-11(13)17-9-3-1-8(2-4-9)15-7-14-6-5-10(15)16/h1-7,11H
InChIKeyZEEGVYGAKGZKBR-UHFFFAOYSA-N
XLogP1.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-1,2,4-triazine-3,5-dione
CID 134119934
3-[4-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 103935816
1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
CID 114703835
2-[4-(difluoromethoxy)phenyl]-1,5-dimethylpyrazol-3-one
CID 3046480
1-[4-(difluoromethoxy)phenyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 163209351
4-(difluoromethoxy)benzaldehyde
CID 2736986
1-[4-(difluoromethoxy)phenyl]-3-methyl-5-oxo-4H-pyrazole-4-carbaldehyde
CID 155304034
2-[4-(difluoromethoxy)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 134124119
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
4-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-5-one
CID 112758289
6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine
CID 164625204
(1S,2R,6S,7R)-4-[4-(difluoromethoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 51704517

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one (CID 58589509) is 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one is O=c1ccncn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one?
The InChIKey is ZEEGVYGAKGZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-11(13)17-9-3-1-8(2-4-9)15-7-14-6-5-10(15)16/h1-7,11H.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one?
3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one has a molecular weight of 238.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]pyrimidin-4-one is sourced from PubChem (CID 58589509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).