2-(fluoromethyl)-2-hydroxybutanoic acid

C5H9FO3 — CID 22639794

IUPAC2-(fluoromethyl)-2-hydroxybutanoic acid
SMILESCCC(O)(CF)C(=O)O
InChIInChI=1S/C5H9FO3/c1-2-5(9,3-6)4(7)8/h9H,2-3H2,1H3,(H,7,8)
InChIKeyLXHHDXXGIBGZAA-UHFFFAOYSA-N
MW136.12 g/mol
LogP0.18
Rot. Bonds3

About 2-(fluoromethyl)-2-hydroxybutanoic acid

2-(fluoromethyl)-2-hydroxybutanoic acid (PubChem CID 22639794) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 2-(fluoromethyl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(fluoromethyl)-2-hydroxybutanoic acid
PubChem CID22639794
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name2-(fluoromethyl)-2-hydroxybutanoic acid
SMILESCCC(O)(CF)C(=O)O
InChIInChI=1S/C5H9FO3/c1-2-5(9,3-6)4(7)8/h9H,2-3H2,1H3,(H,7,8)
InChIKeyLXHHDXXGIBGZAA-UHFFFAOYSA-N
XLogP0.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(fluoromethyl)-2-hydroxybutanoic 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

bis(2-ethyl-2-hydroxybutanoic acid);oxochromium
CID 10991103
(2R)-2-ethyl-2-hydroxybutanedioic acid
CID 5280519
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
2-benzyl-2-hydroxybutanoic acid
CID 22013212
5-ethyl-1,1,1-trifluoro-5-hydroxyheptan-4-one
CID 103447033
2-hydroxy-2-pentylheptanoic acid
CID 18462857
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 161021171
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2-hydroxybutanoic acid?
The IUPAC name of 2-(fluoromethyl)-2-hydroxybutanoic acid (CID 22639794) is 2-(fluoromethyl)-2-hydroxybutanoic acid.
What is the SMILES notation for 2-(fluoromethyl)-2-hydroxybutanoic acid?
The canonical SMILES for 2-(fluoromethyl)-2-hydroxybutanoic acid is CCC(O)(CF)C(=O)O.
What is the InChIKey of 2-(fluoromethyl)-2-hydroxybutanoic acid?
The InChIKey is LXHHDXXGIBGZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3/c1-2-5(9,3-6)4(7)8/h9H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-(fluoromethyl)-2-hydroxybutanoic acid?
2-(fluoromethyl)-2-hydroxybutanoic acid has a molecular weight of 136.12 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2-hydroxybutanoic acid is sourced from PubChem (CID 22639794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).