2,2-difluoro-3-hydroxyoctanoic acid

C8H14F2O3 — CID 62397052

IUPAC2,2-difluoro-3-hydroxyoctanoic acid
SMILESCCCCCC(O)C(F)(F)C(=O)O
InChIInChI=1S/C8H14F2O3/c1-2-3-4-5-6(11)8(9,10)7(12)13/h6,11H,2-5H2,1H3,(H,12,13)
InChIKeyDFXWKZQQWKIXCU-UHFFFAOYSA-N
MW196.19 g/mol
LogP1.65
Rot. Bonds6

About 2,2-difluoro-3-hydroxyoctanoic acid

2,2-difluoro-3-hydroxyoctanoic acid (PubChem CID 62397052) has the molecular formula C8H14F2O3 and a molecular weight of 196.19 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxyoctanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxyoctanoic acid
PubChem CID62397052
Molecular FormulaC8H14F2O3
Molecular Weight196.19 g/mol
Exact Mass196.09
IUPAC Name2,2-difluoro-3-hydroxyoctanoic acid
SMILESCCCCCC(O)C(F)(F)C(=O)O
InChIInChI=1S/C8H14F2O3/c1-2-3-4-5-6(11)8(9,10)7(12)13/h6,11H,2-5H2,1H3,(H,12,13)
InChIKeyDFXWKZQQWKIXCU-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxyoctanoic acid?
The IUPAC name of 2,2-difluoro-3-hydroxyoctanoic acid (CID 62397052) is 2,2-difluoro-3-hydroxyoctanoic acid.
What is the SMILES notation for 2,2-difluoro-3-hydroxyoctanoic acid?
The canonical SMILES for 2,2-difluoro-3-hydroxyoctanoic acid is CCCCCC(O)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-hydroxyoctanoic acid?
The InChIKey is DFXWKZQQWKIXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O3/c1-2-3-4-5-6(11)8(9,10)7(12)13/h6,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 2,2-difluoro-3-hydroxyoctanoic acid?
2,2-difluoro-3-hydroxyoctanoic acid has a molecular weight of 196.19 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxyoctanoic acid is sourced from PubChem (CID 62397052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).