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

C11H8F6O3 — CID 119023119

IUPAC2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
SMILESCc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1C(F)(F)F
InChIInChI=1S/C11H8F6O3/c1-4-2-5(10(12,13)14)3-6(8(18)9(19)20)7(4)11(15,16)17/h2-3,8,18H,1H3,(H,19,20)
InChIKeyJLXFYPKFOJHYMB-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.15
Rot. Bonds2

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

2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid (PubChem CID 119023119) has the molecular formula C11H8F6O3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
PubChem CID119023119
Molecular FormulaC11H8F6O3
Molecular Weight302.17 g/mol
Exact Mass302.04
IUPAC Name2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
SMILESCc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1C(F)(F)F
InChIInChI=1S/C11H8F6O3/c1-4-2-5(10(12,13)14)3-6(8(18)9(19)20)7(4)11(15,16)17/h2-3,8,18H,1H3,(H,19,20)
InChIKeyJLXFYPKFOJHYMB-UHFFFAOYSA-N
XLogP3.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134624070
2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119021848
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
2-[3-amino-2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658053
2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655894
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 134638427
2,6-dimethyl-4-(trifluoromethyl)benzoic acid
CID 58167769
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 117339801
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid (CID 119023119) is 2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid is Cc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid?
The InChIKey is JLXFYPKFOJHYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O3/c1-4-2-5(10(12,13)14)3-6(8(18)9(19)20)7(4)11(15,16)17/h2-3,8,18H,1H3,(H,19,20).
What are the key properties of 2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid?
2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid has a molecular weight of 302.17 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 119023119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).