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1-cyclopropyl-2,2,2-trifluoroethan-1-ol - 97%, high purity , CAS No.1993-77-7
Discover 1-cyclopropyl-2,2,2-trifluoroethan-1-ol by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1-cyclopropyl-2,2,2-trifluoroethan-1-ol | 1993-77-7 | 1-cyclopropyl-2,2,2-trifluoroethanol | 1-cyclopropyl-2,2,2-trifluoro-ethanol | Cyclopropanemethanol, alpha-(trifluoromethyl)- | SCHEMBL2426993 | AMY34602 | BAA99377 | MFCD16067959 | AKOS010909453 | PB48520 | AS-51077 | CS-005
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Halohydrins
Subclass
Fluorohydrins
Intermediate Tree Nodes
Not available
Direct Parent
Fluorohydrins
Alternative Parents
Secondary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Secondary alcohol - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
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
1-cyclopropyl-2,2,2-trifluoroethanol
INCHI
InChI=1S/C5H7F3O/c6-5(7,8)4(9)3-1-2-3/h3-4,9H,1-2H2
InChIKey
PQHMFPNCDSFTAV-UHFFFAOYSA-N
Smiles
C1CC1C(C(F)(F)F)O
Isomeric SMILES
C1CC1C(C(F)(F)F)O
Molecular Weight
140.105
Reaxy-Rn
2072758
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2072758&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
140.100 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
140.045 Da
Monoisotopic Mass
140.045 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
105.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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