2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid

C10H6F6O4 — CID 134639181

IUPAC2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1O
InChIInChI=1S/C10H6F6O4/c11-9(12,13)4-1-3(7(18)8(19)20)6(17)2-5(4)10(14,15)16/h1-2,7,17-18H,(H,19,20)
InChIKeyJQADGGYLKAYNME-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.55
Rot. Bonds2

About 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid

2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid (PubChem CID 134639181) has the molecular formula C10H6F6O4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid
PubChem CID134639181
Molecular FormulaC10H6F6O4
Molecular Weight304.14 g/mol
Exact Mass304.02
IUPAC Name2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1O
InChIInChI=1S/C10H6F6O4/c11-9(12,13)4-1-3(7(18)8(19)20)6(17)2-5(4)10(14,15)16/h1-2,7,17-18H,(H,19,20)
InChIKeyJQADGGYLKAYNME-UHFFFAOYSA-N
XLogP2.55
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,5-dihydroxy-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383096
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
2-[2,3-dihydroxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383098
2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid
CID 118839559
2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid
CID 133094666
2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 134638427
5-[(S)-amino(carboxy)methyl]-4-hydroxy-2-(trifluoromethyl)benzoic acid
CID 66513236
2-[2-amino-5-bromo-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119005684
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 46313392
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117310466

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid (CID 134639181) is 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid is O=C(O)C(O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1O.
What is the InChIKey of 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid?
The InChIKey is JQADGGYLKAYNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O4/c11-9(12,13)4-1-3(7(18)8(19)20)6(17)2-5(4)10(14,15)16/h1-2,7,17-18H,(H,19,20).
What are the key properties of 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid?
2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid has a molecular weight of 304.14 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 134639181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).