4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid

C12H14F2O3 — CID 79414912

IUPAC4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)C(O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O3/c1-6(7(2)12(16)17)11(15)10-8(13)4-3-5-9(10)14/h3-7,11,15H,1-2H3,(H,16,17)
InChIKeyAUBZIEOKOZEPAD-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.36
Rot. Bonds4

About 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid

4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid (PubChem CID 79414912) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
PubChem CID79414912
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)C(O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O3/c1-6(7(2)12(16)17)11(15)10-8(13)4-3-5-9(10)14/h3-7,11,15H,1-2H3,(H,16,17)
InChIKeyAUBZIEOKOZEPAD-UHFFFAOYSA-N
XLogP2.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414690
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
4-(4-chloro-2-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 114859613
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol
CID 115799713
4-(3-bromo-4-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414114
4-hydroxy-2,3-dimethyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 79414458
4-(2,6-difluorophenyl)pentanoic acid
CID 135358255
(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
CID 130997783
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid?
The IUPAC name of 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid (CID 79414912) is 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid.
What is the SMILES notation for 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid?
The canonical SMILES for 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid is CC(C(=O)O)C(C)C(O)c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid?
The InChIKey is AUBZIEOKOZEPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-6(7(2)12(16)17)11(15)10-8(13)4-3-5-9(10)14/h3-7,11,15H,1-2H3,(H,16,17).
What are the key properties of 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid?
4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid has a molecular weight of 244.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid is sourced from PubChem (CID 79414912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).