2,2-difluoro-3-hydroxy-3-methylbutanoic acid

C5H8F2O3 — CID 10773173

IUPAC2,2-difluoro-3-hydroxy-3-methylbutanoic acid
SMILESCC(C)(O)C(F)(F)C(=O)O
InChIInChI=1S/C5H8F2O3/c1-4(2,10)5(6,7)3(8)9/h10H,1-2H3,(H,8,9)
InChIKeyNVFCMUVYZLXDKX-UHFFFAOYSA-N
MW154.11 g/mol
LogP0.48
Rot. Bonds2

About 2,2-difluoro-3-hydroxy-3-methylbutanoic acid

2,2-difluoro-3-hydroxy-3-methylbutanoic acid (PubChem CID 10773173) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-methylbutanoic acid
PubChem CID10773173
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name2,2-difluoro-3-hydroxy-3-methylbutanoic acid
SMILESCC(C)(O)C(F)(F)C(=O)O
InChIInChI=1S/C5H8F2O3/c1-4(2,10)5(6,7)3(8)9/h10H,1-2H3,(H,8,9)
InChIKeyNVFCMUVYZLXDKX-UHFFFAOYSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-methylbutanoic acid (CID 10773173) is 2,2-difluoro-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-methylbutanoic acid is CC(C)(O)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-methylbutanoic acid?
The InChIKey is NVFCMUVYZLXDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-4(2,10)5(6,7)3(8)9/h10H,1-2H3,(H,8,9).
What are the key properties of 2,2-difluoro-3-hydroxy-3-methylbutanoic acid?
2,2-difluoro-3-hydroxy-3-methylbutanoic acid has a molecular weight of 154.11 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 10773173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).