2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid

C10H9F3O3 — CID 91883922

IUPAC2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(O)ccc1CC(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)5-6-1-2-8(14)3-7(6)4-9(15)16/h1-3,14H,4-5H2,(H,15,16)
InChIKeyUZYMABRACBPAJU-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.12
Rot. Bonds3

About 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid

2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid (PubChem CID 91883922) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid
PubChem CID91883922
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(O)ccc1CC(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)5-6-1-2-8(14)3-7(6)4-9(15)16/h1-3,14H,4-5H2,(H,15,16)
InChIKeyUZYMABRACBPAJU-UHFFFAOYSA-N
XLogP2.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid?
The IUPAC name of 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid (CID 91883922) is 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid is O=C(O)Cc1cc(O)ccc1CC(F)(F)F.
What is the InChIKey of 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid?
The InChIKey is UZYMABRACBPAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)5-6-1-2-8(14)3-7(6)4-9(15)16/h1-3,14H,4-5H2,(H,15,16).
What are the key properties of 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid?
2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid has a molecular weight of 234.17 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]acetic acid is sourced from PubChem (CID 91883922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).