2-fluoro-3-hydroxy-3-methylbutanoic acid

C5H9FO3 — CID 55301772

IUPAC2-fluoro-3-hydroxy-3-methylbutanoic acid
SMILESCC(C)(O)C(F)C(=O)O
InChIInChI=1S/C5H9FO3/c1-5(2,9)3(6)4(7)8/h3,9H,1-2H3,(H,7,8)
InChIKeyBPAVPWCRWRTHOJ-UHFFFAOYSA-N
MW136.12 g/mol
LogP0.18
Rot. Bonds2

About 2-fluoro-3-hydroxy-3-methylbutanoic acid

2-fluoro-3-hydroxy-3-methylbutanoic acid (PubChem CID 55301772) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-methylbutanoic acid
PubChem CID55301772
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name2-fluoro-3-hydroxy-3-methylbutanoic acid
SMILESCC(C)(O)C(F)C(=O)O
InChIInChI=1S/C5H9FO3/c1-5(2,9)3(6)4(7)8/h3,9H,1-2H3,(H,7,8)
InChIKeyBPAVPWCRWRTHOJ-UHFFFAOYSA-N
XLogP0.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-methylbutanoic acid (CID 55301772) is 2-fluoro-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-methylbutanoic acid is CC(C)(O)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-3-methylbutanoic acid?
The InChIKey is BPAVPWCRWRTHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3/c1-5(2,9)3(6)4(7)8/h3,9H,1-2H3,(H,7,8).
What are the key properties of 2-fluoro-3-hydroxy-3-methylbutanoic acid?
2-fluoro-3-hydroxy-3-methylbutanoic acid has a molecular weight of 136.12 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 55301772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).