4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid

C10H5F3N2O3S — CID 66439330

IUPAC4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2nccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C10H5F3N2O3S/c11-10(12,13)7-1-2-14-9(15-7)18-5-3-6(8(16)17)19-4-5/h1-4H,(H,16,17)
InChIKeyMXOFOGZCSFLFLV-UHFFFAOYSA-N
MW290.22 g/mol
LogP3.05
Rot. Bonds3

About 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid

4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid (PubChem CID 66439330) has the molecular formula C10H5F3N2O3S and a molecular weight of 290.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid
PubChem CID66439330
Molecular FormulaC10H5F3N2O3S
Molecular Weight290.22 g/mol
Exact Mass290.00
IUPAC Name4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2nccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C10H5F3N2O3S/c11-10(12,13)7-1-2-14-9(15-7)18-5-3-6(8(16)17)19-4-5/h1-4H,(H,16,17)
InChIKeyMXOFOGZCSFLFLV-UHFFFAOYSA-N
XLogP3.05
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid?
The IUPAC name of 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid (CID 66439330) is 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid is O=C(O)c1cc(Oc2nccc(C(F)(F)F)n2)cs1.
What is the InChIKey of 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid?
The InChIKey is MXOFOGZCSFLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3S/c11-10(12,13)7-1-2-14-9(15-7)18-5-3-6(8(16)17)19-4-5/h1-4H,(H,16,17).
What are the key properties of 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid?
4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid has a molecular weight of 290.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxythiophene-2-carboxylic acid is sourced from PubChem (CID 66439330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).