2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid

C16H10F6O3 — CID 118841259

IUPAC2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)C(O)c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10F6O3/c17-15(18,19)11-3-1-2-8(5-11)9-4-10(13(23)14(24)25)7-12(6-9)16(20,21)22/h1-7,13,23H,(H,24,25)
InChIKeyAQFWKBSPSLPDGH-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.51
Rot. Bonds3

About 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid

2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 118841259) has the molecular formula C16H10F6O3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID118841259
Molecular FormulaC16H10F6O3
Molecular Weight364.24 g/mol
Exact Mass364.05
IUPAC Name2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)C(O)c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10F6O3/c17-15(18,19)11-3-1-2-8(5-11)9-4-10(13(23)14(24)25)7-12(6-9)16(20,21)22/h1-7,13,23H,(H,24,25)
InChIKeyAQFWKBSPSLPDGH-UHFFFAOYSA-N
XLogP4.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 166815793
1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 134622895
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468
(2S)-3-methyl-2-[4-[3-(trifluoromethyl)phenyl]phenyl]butanoic acid
CID 11652705
2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 172876886
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
4-hydroxy-2,3-dimethyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 79414458
3-[3-(trifluoromethyl)phenyl]benzoate
CID 7021706
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 118841259) is 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid is O=C(O)C(O)c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is AQFWKBSPSLPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O3/c17-15(18,19)11-3-1-2-8(5-11)9-4-10(13(23)14(24)25)7-12(6-9)16(20,21)22/h1-7,13,23H,(H,24,25).
What are the key properties of 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 364.24 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 118841259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).