1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione

C7H7F3N2O3 — CID 174233674

IUPAC1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)4(13)3-12-2-1-5(14)11-6(12)15/h1-2,4,13H,3H2,(H,11,14,15)
InChIKeyLZNDAVKKVCWFQB-UHFFFAOYSA-N
MW224.14 g/mol
LogP-0.54
Rot. Bonds2

About 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione

1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione (PubChem CID 174233674) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione
PubChem CID174233674
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)4(13)3-12-2-1-5(14)11-6(12)15/h1-2,4,13H,3H2,(H,11,14,15)
InChIKeyLZNDAVKKVCWFQB-UHFFFAOYSA-N
XLogP-0.54
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione (CID 174233674) is 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione is O=c1ccn(CC(O)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione?
The InChIKey is LZNDAVKKVCWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)4(13)3-12-2-1-5(14)11-6(12)15/h1-2,4,13H,3H2,(H,11,14,15).
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione?
1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione has a molecular weight of 224.14 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 174233674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).