3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid

C8H7F3N2O2 — CID 71301531

IUPAC3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-3-4-12-6(13-5)1-2-7(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyIZCYUHSMXHIRNF-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.51
Rot. Bonds3

About 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid

3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid (PubChem CID 71301531) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid
PubChem CID71301531
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-3-4-12-6(13-5)1-2-7(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyIZCYUHSMXHIRNF-UHFFFAOYSA-N
XLogP1.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid
CID 2777798
3-(Pyrimidin-2-yl)propanoic acid
CID 5152885
4-(Trifluoromethyl)pyrimidine-2-carboxylic acid
CID 25324146
Methyl 4-methyl-2-pyrimidineacetate
CID 77134633
3-[7-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 25248714
3-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid
CID 60716746
1-(4-Methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 23607535
Methyl 4-(trifluoromethyl)pyrimidine-2-carboxylate
CID 11579342
2-Pyrimidinebutanal, 4-(trifluoromethyl)-
CID 21919368
3-[4-(Trifluoromethyl)pyrimidin-2-yl]propanal
CID 21919405
[Amino-[2-(trifluoromethyl)pyrimidin-4-yl]methylidene]carbamic acid
CID 66584603
2-(4-Trifluoromethylpyrimidin-2-yl)acetamide
CID 66593263

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid?
The IUPAC name of 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid (CID 71301531) is 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid?
The canonical SMILES for 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid is O=C(O)CCc1nccc(C(F)(F)F)n1.
What is the InChIKey of 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid?
The InChIKey is IZCYUHSMXHIRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)5-3-4-12-6(13-5)1-2-7(14)15/h3-4H,1-2H2,(H,14,15).
What are the key properties of 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid?
3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid has a molecular weight of 220.15 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoic acid is sourced from PubChem (CID 71301531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).