3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C12H8F4N2O3 — CID 174383286

IUPAC3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc(O)ccc2F)c1=O
InChIInChI=1S/C12H8F4N2O3/c1-17-9(12(14,15)16)5-10(20)18(11(17)21)8-4-6(19)2-3-7(8)13/h2-5,19H,1H3
InChIKeyPTYNBXQWVCGWOE-UHFFFAOYSA-N
MW304.20 g/mol
LogP1.40
Rot. Bonds1

About 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 174383286) has the molecular formula C12H8F4N2O3 and a molecular weight of 304.20 g/mol. Its IUPAC name is 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID174383286
Molecular FormulaC12H8F4N2O3
Molecular Weight304.20 g/mol
Exact Mass304.05
IUPAC Name3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc(O)ccc2F)c1=O
InChIInChI=1S/C12H8F4N2O3/c1-17-9(12(14,15)16)5-10(20)18(11(17)21)8-4-6(19)2-3-7(8)13/h2-5,19H,1H3
InChIKeyPTYNBXQWVCGWOE-UHFFFAOYSA-N
XLogP1.40
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 174383286) is 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2cc(O)ccc2F)c1=O.
What is the InChIKey of 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is PTYNBXQWVCGWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O3/c1-17-9(12(14,15)16)5-10(20)18(11(17)21)8-4-6(19)2-3-7(8)13/h2-5,19H,1H3.
What are the key properties of 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 304.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 174383286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).