2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid

C16H10F6O4 — CID 134633857

IUPAC2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H10F6O4/c17-15(18,19)12-7-9(3-6-11(12)13(23)14(24)25)8-1-4-10(5-2-8)26-16(20,21)22/h1-7,13,23H,(H,24,25)
InChIKeyFGQMEPHEIGIOSI-UHFFFAOYSA-N
MW380.24 g/mol
LogP4.39
Rot. Bonds4

About 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid

2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 134633857) has the molecular formula C16H10F6O4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
PubChem CID134633857
Molecular FormulaC16H10F6O4
Molecular Weight380.24 g/mol
Exact Mass380.05
IUPAC Name2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H10F6O4/c17-15(18,19)12-7-9(3-6-11(12)13(23)14(24)25)8-1-4-10(5-2-8)26-16(20,21)22/h1-7,13,23H,(H,24,25)
InChIKeyFGQMEPHEIGIOSI-UHFFFAOYSA-N
XLogP4.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807454
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 46313392
2-hydroxy-2-[2-nitro-4-(trifluoromethoxy)phenyl]acetic acid
CID 134656084
2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807477
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170998128
2-[2-(1-chloro-2-oxopropyl)-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170837544
2-[2-(3-chloropropyl)-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134657979
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid (CID 134633857) is 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is FGQMEPHEIGIOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O4/c17-15(18,19)12-7-9(3-6-11(12)13(23)14(24)25)8-1-4-10(5-2-8)26-16(20,21)22/h1-7,13,23H,(H,24,25).
What are the key properties of 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid?
2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 380.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 134633857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).