Name: 2,2-difluorospiro[2.3]hexan-5-ol - ≥97% , CAS No.2306276-11-7
SKU: D632738
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Classe	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Cyclic alcohols and derivatives
Alternative Parents	Secondary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Secondary alcohol - Cyclobutanol - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
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

Structure 3D

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	134.120 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	134.054 Da
Monoisotopic Mass	134.054 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	149.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Calculateurs de solution

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Avis

Sourires canoniques	C1C(CC12CC2(F)F)O
IUPAC Name	2,2-difluorospiro[2.3]hexan-5-ol
InChIKey	PYMICOULXGTLSG-UHFFFAOYSA-N
INCHI	1S/C6H8F2O/c7-6(8)3-5(6)1-4(9)2-5/h4,9H,1-3H2
Isomères SMILES	C1C(CC12CC2(F)F)O
CAS alternatif	2306276-11-7
PubChem CID	146026787
Poids moléculaire	134.12

2,2-difluorospiro[2.3]hexan-5-ol - ≥97% , CAS No.2306276-11-7

Specifications