4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one

C12H8F4N2O2 — CID 103242073

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2ccc(F)c(C(F)(F)F)c2)cc(=O)[nH]1
InChIInChI=1S/C12H8F4N2O2/c1-6-17-10(19)5-11(18-6)20-7-2-3-9(13)8(4-7)12(14,15)16/h2-5H,1H3,(H,17,18,19)
InChIKeyPOWKTZPDUFKPSS-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.03
Rot. Bonds2

About 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one

4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 103242073) has the molecular formula C12H8F4N2O2 and a molecular weight of 288.20 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID103242073
Molecular FormulaC12H8F4N2O2
Molecular Weight288.20 g/mol
Exact Mass288.05
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2ccc(F)c(C(F)(F)F)c2)cc(=O)[nH]1
InChIInChI=1S/C12H8F4N2O2/c1-6-17-10(19)5-11(18-6)20-7-2-3-9(13)8(4-7)12(14,15)16/h2-5H,1H3,(H,17,18,19)
InChIKeyPOWKTZPDUFKPSS-UHFFFAOYSA-N
XLogP3.03
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585605
2-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240549
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methylsulfanylpyrimidine
CID 67661500
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine-4-carboxylic acid
CID 107555049
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240890
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one (CID 103242073) is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(Oc2ccc(F)c(C(F)(F)F)c2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is POWKTZPDUFKPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2/c1-6-17-10(19)5-11(18-6)20-7-2-3-9(13)8(4-7)12(14,15)16/h2-5H,1H3,(H,17,18,19).
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one?
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 288.20 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103242073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).