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2-Fluoro-5-(trifluoromethyl)pyrimidine - 98%, high purity , CAS No.1214344-68-9
Discover 2-Fluoro-5-(trifluoromethyl)pyrimidine by Aladdin Scientific in 98% for only $2,023.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-fluoro-5-(trifluoromethyl)pyrimidine | 1214344-68-9 | MFCD13185662 | SCHEMBL11287557 | DTXSID90602138 | BBL102705 | STL556511 | AKOS017344325 | SB55769 | MS-20486 | CS-0442529 | EN300-7291990 | A935080
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Halopyrimidines
Direct Parent
2-halopyrimidines
Alternative Parents
Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyrimidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
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
2-fluoro-5-(trifluoromethyl)pyrimidine
INCHI
InChI=1S/C5H2F4N2/c6-4-10-1-3(2-11-4)5(7,8)9/h1-2H
InChIKey
QEWJTWUFYSMONN-UHFFFAOYSA-N
Smiles
C1=C(C=NC(=N1)F)C(F)(F)F
Isomeric SMILES
C1=C(C=NC(=N1)F)C(F)(F)F
Molecular Weight
166.1
Reaxy-Rn
38827796
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38827796&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
166.080 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
166.015 Da
Monoisotopic Mass
166.015 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
127.000
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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