2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid

C19H13F3N2O3 — CID 24885445

IUPAC2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid
SMILESO=C(O)COc1cc(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H13F3N2O3/c20-19(21,22)14-8-6-13(7-9-14)18-23-15(12-4-2-1-3-5-12)10-16(24-18)27-11-17(25)26/h1-10H,11H2,(H,25,26)
InChIKeyUKJWEPZGEQHZHB-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.29
Rot. Bonds5

About 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid

2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid (PubChem CID 24885445) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid
PubChem CID24885445
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid
SMILESO=C(O)COc1cc(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H13F3N2O3/c20-19(21,22)14-8-6-13(7-9-14)18-23-15(12-4-2-1-3-5-12)10-16(24-18)27-11-17(25)26/h1-10H,11H2,(H,25,26)
InChIKeyUKJWEPZGEQHZHB-UHFFFAOYSA-N
XLogP4.29
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid (CID 24885445) is 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid is O=C(O)COc1cc(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid?
The InChIKey is UKJWEPZGEQHZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c20-19(21,22)14-8-6-13(7-9-14)18-23-15(12-4-2-1-3-5-12)10-16(24-18)27-11-17(25)26/h1-10H,11H2,(H,25,26).
What are the key properties of 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid?
2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid has a molecular weight of 374.32 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetic acid is sourced from PubChem (CID 24885445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).