5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one

C11H7F3N2O2 — CID 12661837

IUPAC5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one
SMILESO=c1ncc(Oc2cccc(C(F)(F)F)c2)c[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)18-9-5-15-10(17)16-6-9/h1-6H,(H,15,16,17)
InChIKeyIUFLCCGSBWWBGH-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.58
Rot. Bonds2

About 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one

5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one (PubChem CID 12661837) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one
PubChem CID12661837
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one
SMILESO=c1ncc(Oc2cccc(C(F)(F)F)c2)c[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)18-9-5-15-10(17)16-6-9/h1-6H,(H,15,16,17)
InChIKeyIUFLCCGSBWWBGH-UHFFFAOYSA-N
XLogP2.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one?
The IUPAC name of 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one (CID 12661837) is 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one is O=c1ncc(Oc2cccc(C(F)(F)F)c2)c[nH]1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one?
The InChIKey is IUFLCCGSBWWBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)18-9-5-15-10(17)16-6-9/h1-6H,(H,15,16,17).
What are the key properties of 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one?
5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one has a molecular weight of 256.18 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one is sourced from PubChem (CID 12661837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).