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4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol - 97%, high purity , CAS No.1256545-48-8
Discover 4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol by Aladdin Scientific in 97% for only $1,752.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1256545-48-8 | 4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol | 4,4-difluoro-1-(hydroxymethyl)cyclohexanol | SCHEMBL128411 | DTXSID501270407 | AKOS025289879 | SB84019 | 4,4-Difluoro-1-hydroxycyclohexanemethanol | AS-52016 | CS-0051123 | Cyclohexanemethanol, 4,4-difluoro-1-hyd
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Secondary alcohols
Direct Parent
Cyclohexanols
Alternative Parents
Cyclohexyl halides Tertiary alcohols Cyclic alcohols and derivatives 1,2-diols Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexyl halide - Cyclohexanol - Tertiary alcohol - Cyclic alcohol - 1,2-diol - Hydrocarbon derivative - Primary alcohol - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol
INCHI
InChI=1S/C7H12F2O2/c8-7(9)3-1-6(11,5-10)2-4-7/h10-11H,1-5H2
InChIKey
UWQNBBJRNAMXKK-UHFFFAOYSA-N
Smiles
C1CC(CCC1(CO)O)(F)F
Isomeric SMILES
C1CC(CCC1(CO)O)(F)F
Molecular Weight
166.1658
Reaxy-Rn
20907800
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20907800&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
166.170 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
166.081 Da
Monoisotopic Mass
166.081 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
137.000
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
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