57855-77-3 Purity
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Specification
The molecular formula is C7H7F9O3.
The synonyms are tris(2,2,2-trifluoroethyl)orthoformate, 58244-27-2, TRIS[(TRIFLUOROETHOXY)METHANE], and 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane.
The molecular weight is 310.11 g/mol.
TRIS(2,2,2-TRIFLUOROETHYL)ORTHOFORMATE was created on September 10, 2005.
The IUPAC name is 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane.
The InChI is InChI=1S/C7H7F9O3/c8-5(9,10)1-17-4(18-2-6(11,12)13)19-3-7(14,15)16/h4H,1-3H2.
The InChIKey is IESBVSNCDNHMSL-UHFFFAOYSA-N.
The canonical SMILES is C(C(F)(F)F)OC(OCC(F)(F)F)OCC(F)(F)F.
The CAS number is 58244-27-2.
The computed properties include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, and covalently-bonded unit count.