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6-Fluoro-2,3-dihydro-2,2-dimethylchromen-4-one , CAS No.105799-73-3
Discover 6-Fluoro-2,3-dihydro-2,2-dimethylchromen-4-one by Aladdin Scientific in for only $996.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
105799-73-3 | 6-Fluoro-2,2-dimethylchroman-4-one | 6-FLUORO-2,2-DIMETHYL-4-CHROMANONE | 6-fluoro-2,2-dimethyl-3H-chromen-4-one | 6-fluoro-2,2-dimethyl-chroman-4-one | 6-Fluoro-2,3-dihydro-2,2-dimethylchromen-4-one | MFCD12068432 | SCHEMBL2317692 | DTXSID10453826 | MPJMDEXL
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
2,2-dimethyl-1-benzopyrans
Alternative Parents
Chromones Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl fluorides Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Chromone - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Aryl fluoride - Aryl halide - Benzenoid - Ketone - Ether - Oxacycle - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
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
6-fluoro-2,2-dimethyl-3H-chromen-4-one
INCHI
InChI=1S/C11H11FO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6H2,1-2H3
InChIKey
MPJMDEXLUJRBBJ-UHFFFAOYSA-N
Smiles
CC1(CC(=O)C2=C(O1)C=CC(=C2)F)C
Isomeric SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2)F)C
Molecular Weight
194.2
Reaxy-Rn
5426580
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5426580&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
194.200 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
194.074 Da
Monoisotopic Mass
194.074 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
250.000
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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