1.0 2010-04-08 22:15:39 UTC 2025-11-19 02:37:06 UTC FDB021372 Casoxin D Isolated from the proteolytic digest of human milk casein C9H7F13O 378.133 378.028930964 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(propan-2-yloxy)hexane 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-isopropoxyhexane 134027-58-0 CC(C)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F InChI=1S/C9H7F13O/c1-3(2)23-9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h3H,1-2H3 INBRDFNDLUBSKE-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. Dialkyl ethers Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic acyclic compounds Alkyl fluorides Hydrocarbon derivatives Organofluorides Aliphatic acyclic compound Alkyl fluoride Alkyl halide Dialkyl ether Hydrocarbon derivative Organofluoride Organohalogen compound logp 4.09 ALOGPS logs -3.85 ALOGPS solubility 5.36e-02 g/l ALOGPS logp 5.5 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(propan-2-yloxy)hexane ChemAxon average_mass 378.133 ChemAxon mono_mass 378.028930964 ChemAxon smiles CC(C)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ChemAxon formula C9H7F13O ChemAxon inchi InChI=1S/C9H7F13O/c1-3(2)23-9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h3H,1-2H3 ChemAxon inchikey INBRDFNDLUBSKE-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 46.87 ChemAxon polarizability 19.96 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1230625 Specdb::MsMs 1230626 Specdb::MsMs 1230627 Specdb::MsMs 1346161 Specdb::MsMs 1346162 Specdb::MsMs 1346163 Specdb::MsMs 3606631 Specdb::MsMs 3606632 Specdb::MsMs 3606633 Specdb::MsMs 3606634 Specdb::MsMs 3606635 Specdb::MsMs 3606636