Name: methyl 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate - ≥97% , CAS No.1093750-99-2
Price: 383.9 USD
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Carbocyclic fatty acids
Alternative Parents	Fatty acid esters Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Carbocyclic fatty acid - Fatty acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring .
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	176.160 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	176.065 Da
Monoisotopic Mass	176.065 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	213.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Reviews

Canonical Smiles	COC(=O)C1CC2C(C1)C2(F)F
IUPAC Name	methyl 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate
InChIKey	UEJNIGHPMYGIDX-UHFFFAOYSA-N
INCHI	1S/C8H10F2O2/c1-12-7(11)4-2-5-6(3-4)8(5,9)10/h4-6H,2-3H2,1H3
Isomeric SMILES	COC(=O)C1CC2C(C1)C2(F)F
Alternate CAS	1093750-99-2
PubChem CID	68879786
Molecular Weight	176.16

methyl 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate - ≥97% , CAS No.1093750-99-2

Specifications