4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one

C11H7F3N2O3 — CID 103241999

IUPAC4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc(OC(F)(F)F)cc2)nc[nH]1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)19-8-3-1-7(2-4-8)18-10-5-9(17)15-6-16-10/h1-6H,(H,15,16,17)
InChIKeyBTBKABRZVFLCQS-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.46
Rot. Bonds3

About 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one

4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one (PubChem CID 103241999) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
PubChem CID103241999
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc(OC(F)(F)F)cc2)nc[nH]1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)19-8-3-1-7(2-4-8)18-10-5-9(17)15-6-16-10/h1-6H,(H,15,16,17)
InChIKeyBTBKABRZVFLCQS-UHFFFAOYSA-N
XLogP2.46
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
CID 103241207
(6-oxo-1H-pyrimidin-4-yl) trifluoromethanesulfonate
CID 146482957
4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one
CID 114578605
5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 114921355
6-[4-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136941685
2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986
2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 53229611
3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091567
5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole
CID 141252380
5-[4-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 175695029
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one (CID 103241999) is 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one is O=c1cc(Oc2ccc(OC(F)(F)F)cc2)nc[nH]1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is BTBKABRZVFLCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)19-8-3-1-7(2-4-8)18-10-5-9(17)15-6-16-10/h1-6H,(H,15,16,17).
What are the key properties of 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one?
4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 272.18 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).