2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid

C123H154F58O43-4 — CID 161306426

IUPAC2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
SMILESCC(C(=O)O)C(C)(O)C(F)(F)F.CC(C)(C(=O)O)C(C)(O)C(F)(F)F.CC(C)(C)C(=O)OC(C)(C(=O)O)C(F)(F)F.CC(C)C(C(=O)O)C(C)(O)C(F)(F)F.CC(C)CC(C(=O)O)C(C)(O)C(F)(F)F.CC(O)(CC(=O)O)C(F)(F)F.CCC(C(=O)O)C(C)(O)C(F)(F)F.COCOC(C)(C(=O)O)C(F)(F)F.O=C(O)CC(C(F)(F)F)C(F)(F)F.O=C(O)CC(F)(F)CC(F)(F)F.O=C(O)CC(F)(F)CC(F)(F)F.O=C(O)CC(O)(C(F)(F)F)C(F)(F)F.O=C([O-])C1(C(F)(F)F)CC2C=CC1C2.O=C([O-])C1(C(F)(F)F)CC2CC1C1C3C=CC(C3)C21.O=C([O-])C1(C(F)(F)F)CC2CC1C1C3CCC(C3)C21.O=C([O-])C1(C(F)(F)F)CC2CCC1C2
InChIInChI=1S/C14H17F3O2.C14H15F3O2.C9H13F3O4.C9H15F3O3.C9H11F3O2.C9H9F3O2.C8H13F3O3.2C7H11F3O3.C6H9F3O4.C6H9F3O3.C5H4F6O3.C5H4F6O2.2C5H5F5O2.C5H7F3O3/c2*15-14(16,17)13(12(18)19)5-8-4-9(13)11-7-2-1-6(3-7)10(8)11;1-7(2,3)6(15)16-8(4,5(13)14)9(10,11)12;1-5(2)4-6(7(13)14)8(3,15)9(10,11)12;2*10-9(11,12)8(7(13)14)4-5-1-2-6(8)3-5;1-4(2)5(6(12)13)7(3,14)8(9,10)11;1-5(2,4(11)12)6(3,13)7(8,9)10;1-3-4(5(11)12)6(2,13)7(8,9)10;1-5(4(10)11,6(7,8)9)13-3-12-2;1-3(4(10)11)5(2,12)6(7,8)9;6-4(7,8)3(14,1-2(12)13)5(9,10)11;6-4(7,8)2(1-3(12)13)5(9,10)11;2*6-4(7,1-3(11)12)2-5(8,9)10;1-4(11,2-3(9)10)5(6,7)8/h6-11H,1-5H2,(H,18,19);1-2,6-11H,3-5H2,(H,18,19);1-4H3,(H,13,14);5-6,15H,4H2,1-3H3,(H,13,14);5-6H,1-4H2,(H,13,14);1-2,5-6H,3-4H2,(H,13,14);4-5,14H,1-3H3,(H,12,13);13H,1-3H3,(H,11,12);4,13H,3H2,1-2H3,(H,11,12);3H2,1-2H3,(H,10,11);3,12H,1-2H3,(H,10,11);14H,1H2,(H,12,13);2H,1H2,(H,12,13);2*1-2H2,(H,11,12);11H,2H2,1H3,(H,9,10)/p-4
InChIKeyVIHOPZNWZNDSQU-UHFFFAOYSA-J
MW3422.43 g/mol
LogP24.67
Rot. Bonds36

About 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid

2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid (PubChem CID 161306426) has the molecular formula C123H154F58O43-4 and a molecular weight of 3422.43 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
PubChem CID161306426
Molecular FormulaC123H154F58O43-4
Molecular Weight3422.43 g/mol
Exact Mass3420.90
IUPAC Name2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
SMILESCC(C(=O)O)C(C)(O)C(F)(F)F.CC(C)(C(=O)O)C(C)(O)C(F)(F)F.CC(C)(C)C(=O)OC(C)(C(=O)O)C(F)(F)F.CC(C)C(C(=O)O)C(C)(O)C(F)(F)F.CC(C)CC(C(=O)O)C(C)(O)C(F)(F)F.CC(O)(CC(=O)O)C(F)(F)F.CCC(C(=O)O)C(C)(O)C(F)(F)F.COCOC(C)(C(=O)O)C(F)(F)F.O=C(O)CC(C(F)(F)F)C(F)(F)F.O=C(O)CC(F)(F)CC(F)(F)F.O=C(O)CC(F)(F)CC(F)(F)F.O=C(O)CC(O)(C(F)(F)F)C(F)(F)F.O=C([O-])C1(C(F)(F)F)CC2C=CC1C2.O=C([O-])C1(C(F)(F)F)CC2CC1C1C3C=CC(C3)C21.O=C([O-])C1(C(F)(F)F)CC2CC1C1C3CCC(C3)C21.O=C([O-])C1(C(F)(F)F)CC2CCC1C2
InChIInChI=1S/C14H17F3O2.C14H15F3O2.C9H13F3O4.C9H15F3O3.C9H11F3O2.C9H9F3O2.C8H13F3O3.2C7H11F3O3.C6H9F3O4.C6H9F3O3.C5H4F6O3.C5H4F6O2.2C5H5F5O2.C5H7F3O3/c2*15-14(16,17)13(12(18)19)5-8-4-9(13)11-7-2-1-6(3-7)10(8)11;1-7(2,3)6(15)16-8(4,5(13)14)9(10,11)12;1-5(2)4-6(7(13)14)8(3,15)9(10,11)12;2*10-9(11,12)8(7(13)14)4-5-1-2-6(8)3-5;1-4(2)5(6(12)13)7(3,14)8(9,10)11;1-5(2,4(11)12)6(3,13)7(8,9)10;1-3-4(5(11)12)6(2,13)7(8,9)10;1-5(4(10)11,6(7,8)9)13-3-12-2;1-3(4(10)11)5(2,12)6(7,8)9;6-4(7,8)3(14,1-2(12)13)5(9,10)11;6-4(7,8)2(1-3(12)13)5(9,10)11;2*6-4(7,1-3(11)12)2-5(8,9)10;1-4(11,2-3(9)10)5(6,7)8/h6-11H,1-5H2,(H,18,19);1-2,6-11H,3-5H2,(H,18,19);1-4H3,(H,13,14);5-6,15H,4H2,1-3H3,(H,13,14);5-6H,1-4H2,(H,13,14);1-2,5-6H,3-4H2,(H,13,14);4-5,14H,1-3H3,(H,12,13);13H,1-3H3,(H,11,12);4,13H,3H2,1-2H3,(H,11,12);3H2,1-2H3,(H,10,11);3,12H,1-2H3,(H,10,11);14H,1H2,(H,12,13);2H,1H2,(H,12,13);2*1-2H2,(H,11,12);11H,2H2,1H3,(H,9,10)/p-4
InChIKeyVIHOPZNWZNDSQU-UHFFFAOYSA-J
XLogP24.67
TPSA794.49 Ų
H-Bond Donors19
H-Bond Acceptors31
Rotatable Bonds36
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003422.43
LogP ≤ 524.67
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid?
The IUPAC name of 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid (CID 161306426) is 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid is CC(C(=O)O)C(C)(O)C(F)(F)F.CC(C)(C(=O)O)C(C)(O)C(F)(F)F.CC(C)(C)C(=O)OC(C)(C(=O)O)C(F)(F)F.CC(C)C(C(=O)O)C(C)(O)C(F)(F)F.CC(C)CC(C(=O)O)C(C)(O)C(F)(F)F.CC(O)(CC(=O)O)C(F)(F)F.CCC(C(=O)O)C(C)(O)C(F)(F)F.COCOC(C)(C(=O)O)C(F)(F)F.O=C(O)CC(C(F)(F)F)C(F)(F)F.O=C(O)CC(F)(F)CC(F)(F)F.O=C(O)CC(F)(F)CC(F)(F)F.O=C(O)CC(O)(C(F)(F)F)C(F)(F)F.O=C([O-])C1(C(F)(F)F)CC2C=CC1C2.O=C([O-])C1(C(F)(F)F)CC2CC1C1C3C=CC(C3)C21.O=C([O-])C1(C(F)(F)F)CC2CC1C1C3CCC(C3)C21.O=C([O-])C1(C(F)(F)F)CC2CCC1C2.
What is the InChIKey of 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid?
The InChIKey is VIHOPZNWZNDSQU-UHFFFAOYSA-J. The full InChI is InChI=1S/C14H17F3O2.C14H15F3O2.C9H13F3O4.C9H15F3O3.C9H11F3O2.C9H9F3O2.C8H13F3O3.2C7H11F3O3.C6H9F3O4.C6H9F3O3.C5H4F6O3.C5H4F6O2.2C5H5F5O2.C5H7F3O3/c2*15-14(16,17)13(12(18)19)5-8-4-9(13)11-7-2-1-6(3-7)10(8)11;1-7(2,3)6(15)16-8(4,5(13)14)9(10,11)12;1-5(2)4-6(7(13)14)8(3,15)9(10,11)12;2*10-9(11,12)8(7(13)14)4-5-1-2-6(8)3-5;1-4(2)5(6(12)13)7(3,14)8(9,10)11;1-5(2,4(11)12)6(3,13)7(8,9)10;1-3-4(5(11)12)6(2,13)7(8,9)10;1-5(4(10)11,6(7,8)9)13-3-12-2;1-3(4(10)11)5(2,12)6(7,8)9;6-4(7,8)3(14,1-2(12)13)5(9,10)11;6-4(7,8)2(1-3(12)13)5(9,10)11;2*6-4(7,1-3(11)12)2-5(8,9)10;1-4(11,2-3(9)10)5(6,7)8/h6-11H,1-5H2,(H,18,19);1-2,6-11H,3-5H2,(H,18,19);1-4H3,(H,13,14);5-6,15H,4H2,1-3H3,(H,13,14);5-6H,1-4H2,(H,13,14);1-2,5-6H,3-4H2,(H,13,14);4-5,14H,1-3H3,(H,12,13);13H,1-3H3,(H,11,12);4,13H,3H2,1-2H3,(H,11,12);3H2,1-2H3,(H,10,11);3,12H,1-2H3,(H,10,11);14H,1H2,(H,12,13);2H,1H2,(H,12,13);2*1-2H2,(H,11,12);11H,2H2,1H3,(H,9,10)/p-4.
What are the key properties of 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid?
2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid has a molecular weight of 3422.43 g/mol, XLogP of 24.67, 36 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropanoic acid;2-ethyl-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid;bis(3,3,5,5,5-pentafluoropentanoic acid);4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid;4,4,4-trifluoro-3-hydroxy-2,2,3-trimethylbutanoic acid;3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid;2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid is sourced from PubChem (CID 161306426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).