3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C14H9F5N2O3 — CID 19009605

IUPAC3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)CF)ccc2F)c1=O
InChIInChI=1S/C14H9F5N2O3/c1-20-11(14(17,18)19)5-12(23)21(13(20)24)9-4-7(10(22)6-15)2-3-8(9)16/h2-5H,6H2,1H3
InChIKeyGZCZHDRUTBOMHB-UHFFFAOYSA-N
MW348.23 g/mol
LogP1.85
Rot. Bonds3

About 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 19009605) has the molecular formula C14H9F5N2O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID19009605
Molecular FormulaC14H9F5N2O3
Molecular Weight348.23 g/mol
Exact Mass348.05
IUPAC Name3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)CF)ccc2F)c1=O
InChIInChI=1S/C14H9F5N2O3/c1-20-11(14(17,18)19)5-12(23)21(13(20)24)9-4-7(10(22)6-15)2-3-8(9)16/h2-5H,6H2,1H3
InChIKeyGZCZHDRUTBOMHB-UHFFFAOYSA-N
XLogP1.85
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 19009605) is 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)CF)ccc2F)c1=O.
What is the InChIKey of 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is GZCZHDRUTBOMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N2O3/c1-20-11(14(17,18)19)5-12(23)21(13(20)24)9-4-7(10(22)6-15)2-3-8(9)16/h2-5H,6H2,1H3.
What are the key properties of 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 348.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(2-fluoroacetyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 19009605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).