121629-14-9 | Methyl 4,4-difluorocyclohexanecarboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$23.00	$16.00
1g	97%	in stock	$32.00	$22.00
5g	97%	in stock	$80.00	$56.00
25g	97%	in stock	$278.00	$194.00
100g	97%	in stock	$983.00	$689.00

Description

• Catalog Number: AA53504
• Chemical Name: Methyl 4,4-difluorocyclohexanecarboxylate
• CAS Number: 121629-14-9
• Molecular Formula: C8H12F2O2
• Molecular Weight: 178.1765
• MDL Number: MFCD11040454
• SMILES: COC(=O)C1CCC(CC1)(F)F

Computed Properties

• Complexity: 170
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• XLogP3: 2

Upstream Synthesis Route

Methyl 4,4-difluorocyclohexanecarboxylate is a versatile compound commonly used in chemical synthesis as a building block for the creation of various organic molecules. Due to its unique structure and functional groups, this compound serves as a valuable intermediate in the production of pharmaceuticals, agrochemicals, and fine chemicals. Its incorporation in complex molecular structures helps in enhancing the overall properties and bioactivity of the final products. Additionally, Methyl 4,4-difluorocyclohexanecarboxylate enables chemists to introduce specific fluorine atoms into the target molecules, which can have a significant impact on the compound's reactivity, stability, and pharmacological profile. Its strategic usage in synthetic routes highlights its importance in the development of novel compounds with improved properties and potential applications in various industries.