4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid

C11H11F3O3 — CID 117049910

IUPAC4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid
SMILESCC(CCO)(C(=O)O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H11F3O3/c1-11(2-3-15,10(16)17)9-7(13)4-6(12)5-8(9)14/h4-5,15H,2-3H2,1H3,(H,16,17)
InChIKeyWBLBDPWHFNPMGA-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.83
Rot. Bonds4

About 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid

4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid (PubChem CID 117049910) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid
PubChem CID117049910
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid
SMILESCC(CCO)(C(=O)O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H11F3O3/c1-11(2-3-15,10(16)17)9-7(13)4-6(12)5-8(9)14/h4-5,15H,2-3H2,1H3,(H,16,17)
InChIKeyWBLBDPWHFNPMGA-UHFFFAOYSA-N
XLogP1.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid
CID 117049901
2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid
CID 83402908
2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid
CID 150151547
2-(2,4-difluorophenyl)-2-methylpentanedioic acid
CID 117050132
2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid
CID 130545054
2-(2,5-difluorophenyl)-2-methylpentanedioic acid
CID 117050123
(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate
CID 87292552
3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 106880211
4-cyano-2-(3,5-difluorophenyl)-2-methylbutanoic acid
CID 117049578
3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117290714

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid?
The IUPAC name of 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid (CID 117049910) is 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid?
The canonical SMILES for 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid is CC(CCO)(C(=O)O)c1c(F)cc(F)cc1F.
What is the InChIKey of 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid?
The InChIKey is WBLBDPWHFNPMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-11(2-3-15,10(16)17)9-7(13)4-6(12)5-8(9)14/h4-5,15H,2-3H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid?
4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid has a molecular weight of 248.20 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid is sourced from PubChem (CID 117049910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).