5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one

C5H2F4N2O2 — CID 70423880

IUPAC5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)nc(O)c1F
InChIInChI=1S/C5H2F4N2O2/c6-1-2(12)10-4(5(7,8)9)11-3(1)13/h(H2,10,11,12,13)
InChIKeyAFBOQQVDHXMROB-UHFFFAOYSA-N
MW198.07 g/mol
LogP0.63
Rot. Bonds

About 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one

5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 70423880) has the molecular formula C5H2F4N2O2 and a molecular weight of 198.07 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID70423880
Molecular FormulaC5H2F4N2O2
Molecular Weight198.07 g/mol
Exact Mass198.01
IUPAC Name5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)nc(O)c1F
InChIInChI=1S/C5H2F4N2O2/c6-1-2(12)10-4(5(7,8)9)11-3(1)13/h(H2,10,11,12,13)
InChIKeyAFBOQQVDHXMROB-UHFFFAOYSA-N
XLogP0.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.07
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 70423880) is 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]c(C(F)(F)F)nc(O)c1F.
What is the InChIKey of 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is AFBOQQVDHXMROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F4N2O2/c6-1-2(12)10-4(5(7,8)9)11-3(1)13/h(H2,10,11,12,13).
What are the key properties of 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 198.07 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70423880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).