2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid

C11H12F2O3 — CID 117049901

IUPAC2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid
SMILESCC(CCO)(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O3/c1-11(2-3-14,10(15)16)7-4-8(12)6-9(13)5-7/h4-6,14H,2-3H2,1H3,(H,15,16)
InChIKeyYAEGPPHUKQBGLK-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.69
Rot. Bonds4

About 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid

2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid (PubChem CID 117049901) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid
PubChem CID117049901
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid
SMILESCC(CCO)(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O3/c1-11(2-3-14,10(15)16)7-4-8(12)6-9(13)5-7/h4-6,14H,2-3H2,1H3,(H,15,16)
InChIKeyYAEGPPHUKQBGLK-UHFFFAOYSA-N
XLogP1.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid
CID 117049910
4-cyano-2-(3,5-difluorophenyl)-2-methylbutanoic acid
CID 117049578
(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
CID 68847804
(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol
CID 130706389
1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754526
acetic acid;1,3,5-trifluorobenzene
CID 162178148
ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate
CID 117048127
2-(2,5-difluorophenyl)-2-methylpentanedioic acid
CID 117050123
(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
CID 130657350
3-(3,5-difluorophenyl)-3,3-difluoropropanoic acid
CID 162738237
[2-amino-2-(3,5-difluorophenyl)propyl] 2-amino-2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 66954947

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid (CID 117049901) is 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid is CC(CCO)(C(=O)O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid?
The InChIKey is YAEGPPHUKQBGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-11(2-3-14,10(15)16)7-4-8(12)6-9(13)5-7/h4-6,14H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid?
2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid has a molecular weight of 230.21 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 117049901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).