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ScientificNameLabel
trifluoroacetic acid
PHCD compound ID : 4392
Chemical Names :
trifluoroacetic acid
Molecular Formula : C2H1F3O2
Molecular Weight : 113.992864
More Details :
Names & Synonyms: 2,2,2-trifluoroacetic acid , 2,2,2-tris(fluoranyl)ethanoic acid
Smiles: OC(=O)C(F)(F)F
InChi : InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChi Key : InChIKey=DTQVDTLACAAQTR-UHFFFAOYSA-N
PubChem ID : 6422
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 12.206372
Hydrogen bond donor count : 1 Electric dipole moment : 2.186
XLogP : 0.619 VDW volume : 76.295099
Molecular weight : 113.992864 HOMO-LUMO gap : 11.663000
Herb list :
Refrences & Litretures:
  
652.      Journal:'Research Journal of Pharmaceutical, Biological and Chemical Sciences'      Year:'2015'      Volume:'6'      Page:'125'      DOI:''      Title:'Volatile Oil Composition of Carthamus Tinctorius L the Flowers Grown in Kazakhstan'
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