2,2-difluoro-3-hydroxypentanoic acid

C5H8F2O3 — CID 54272656

IUPAC2,2-difluoro-3-hydroxypentanoic acid
SMILESCCC(O)C(F)(F)C(=O)O
InChIInChI=1S/C5H8F2O3/c1-2-3(8)5(6,7)4(9)10/h3,8H,2H2,1H3,(H,9,10)
InChIKeyRLFXUHFTSMNNLS-UHFFFAOYSA-N
MW154.11 g/mol
LogP0.48
Rot. Bonds3

About 2,2-difluoro-3-hydroxypentanoic acid

2,2-difluoro-3-hydroxypentanoic acid (PubChem CID 54272656) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxypentanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxypentanoic acid
PubChem CID54272656
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name2,2-difluoro-3-hydroxypentanoic acid
SMILESCCC(O)C(F)(F)C(=O)O
InChIInChI=1S/C5H8F2O3/c1-2-3(8)5(6,7)4(9)10/h3,8H,2H2,1H3,(H,9,10)
InChIKeyRLFXUHFTSMNNLS-UHFFFAOYSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-hydroxypentanoic acid?
The IUPAC name of 2,2-difluoro-3-hydroxypentanoic acid (CID 54272656) is 2,2-difluoro-3-hydroxypentanoic acid.
What is the SMILES notation for 2,2-difluoro-3-hydroxypentanoic acid?
The canonical SMILES for 2,2-difluoro-3-hydroxypentanoic acid is CCC(O)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-hydroxypentanoic acid?
The InChIKey is RLFXUHFTSMNNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-2-3(8)5(6,7)4(9)10/h3,8H,2H2,1H3,(H,9,10).
What are the key properties of 2,2-difluoro-3-hydroxypentanoic acid?
2,2-difluoro-3-hydroxypentanoic acid has a molecular weight of 154.11 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxypentanoic acid is sourced from PubChem (CID 54272656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).