4,​4-​difluorobutan-​1-​ol


Chemical Name: 4,​4-​difluorobutan-​1-​ol
CAS Number: 272440-79-6
Product Number: AG01DWAE(AGN-PC-0WGG9G)
Synonyms:
MDL No:
Molecular Formula: C4H8F2O
Molecular Weight: 110.1025

Identification/Properties


Computed Properties
Molecular Weight:
110.104g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
110.054g/mol
Monoisotopic Mass:
110.054g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
38.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



4,4-difluorobutan-1-ol is a valuable chemical compound commonly used in organic synthesis. As a primary alcohol with two fluorine atoms attached to the terminal carbon, this compound exhibits unique reactivity and properties that make it a versatile building block in the production of various organic compounds.One of the key applications of 4,4-difluorobutan-1-ol in chemical synthesis is its utility as a precursor for the synthesis of fluorine-containing molecules. The presence of fluorine atoms in the molecule imparts distinct physical and chemical properties, enhancing the stability, lipophilicity, and biological activity of the resulting compounds. Fluorinated organic molecules are widely utilized in pharmaceuticals, agrochemicals, materials science, and other industries due to their unique characteristics.In addition, the hydroxyl group in 4,4-difluorobutan-1-ol allows for further derivatization through various chemical reactions. The alcohol functionality can be selectively modified to introduce different functional groups, enabling the synthesis of a diverse range of compounds. Furthermore, the structural rigidity and steric effects of the difluorobutyl moiety can influence the stereochemistry and reactivity of the molecules synthesized from this building block.Overall, 4,4-difluorobutan-1-ol serves as a valuable intermediate in organic synthesis, facilitating the preparation of fluorinated organic compounds with tailored properties for applications in drug discovery, materials development, and other fields of chemical research.