2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C15H10F4O3 — CID 46313392

IUPAC2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2ccc(F)cc2)ccc1C(F)(F)F
InChIInChI=1S/C15H10F4O3/c16-10-4-1-8(2-5-10)9-3-6-12(15(17,18)19)11(7-9)13(20)14(21)22/h1-7,13,20H,(H,21,22)
InChIKeyUMFVIJYUORYAEE-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.63
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 46313392) has the molecular formula C15H10F4O3 and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID46313392
Molecular FormulaC15H10F4O3
Molecular Weight314.23 g/mol
Exact Mass314.06
IUPAC Name2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2ccc(F)cc2)ccc1C(F)(F)F
InChIInChI=1S/C15H10F4O3/c16-10-4-1-8(2-5-10)9-3-6-12(15(17,18)19)11(7-9)13(20)14(21)22/h1-7,13,20H,(H,21,22)
InChIKeyUMFVIJYUORYAEE-UHFFFAOYSA-N
XLogP3.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 46313392) is 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(-c2ccc(F)cc2)ccc1C(F)(F)F.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is UMFVIJYUORYAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O3/c16-10-4-1-8(2-5-10)9-3-6-12(15(17,18)19)11(7-9)13(20)14(21)22/h1-7,13,20H,(H,21,22).
What are the key properties of 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 314.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 46313392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).