3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate

C144H162F60O51-10 — CID 165058387

IUPAC3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate
SMILESCC(=O)OC1CCCCC1OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(C)(C)OC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(C)C(OCC12CC3CC(CC(C3)C1)C2)C(=O)OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.CC1(C)OC(C(=O)OC2C3CC4CC(C3)CC2C4)C(C(=O)OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F)O1.CCCCOC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.COC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.COCCOC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C([O-])CC(OC(=O)CCC(=O)OC1C2CC3CC(C2)OC(=O)C1C3)(C(F)(F)F)C(F)(F)F.O=C([O-])CC(OC1CCCCC1)(C(F)(F)F)C(F)(F)F.O=C([O-])CC(OCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H26F6O8.C21H28F6O5.C19H20F6O9.C19H20F6O8.C16H20F6O3.C13H16F6O5.C11H14F6O3.C9H12F6O3.C8H10F6O4.C6H6F6O3/c1-19(2)34-15(17(31)33-14-11-4-9-3-10(6-11)7-12(14)5-9)16(35-19)18(32)36-20(8-13(29)30,21(23,24)25)22(26,27)28;1-11(2)16(31-10-18-6-12-3-13(7-18)5-14(4-12)8-18)17(30)32-19(9-15(28)29,20(22,23)24)21(25,26)27;1-16(2,3)34-15(30)32-12-7-4-6-9(13(28)31-11(6)12)10(7)14(29)33-17(5-8(26)27,18(20,21)22)19(23,24)25;20-18(21,22)17(7-12(26)27,19(23,24)25)33-14(29)2-1-13(28)32-15-9-3-8-4-10(6-9)31-16(30)11(15)5-8;17-15(18,19)14(7-12(23)24,16(20,21)22)25-8-13-4-9-1-10(5-13)3-11(2-9)6-13;1-7(20)23-8-4-2-3-5-9(8)24-11(6-10(21)22,12(14,15)16)13(17,18)19;12-10(13,14)9(6-8(18)19,11(15,16)17)20-7-4-2-1-3-5-7;1-2-3-4-18-7(5-6(16)17,8(10,11)12)9(13,14)15;1-17-2-3-18-6(4-5(15)16,7(9,10)11)8(12,13)14;1-15-4(2-3(13)14,5(7,8)9)6(10,11)12/h9-12,14-16H,3-8H2,1-2H3,(H,29,30);11-14,16H,3-10H2,1-2H3,(H,28,29);6-7,9-12H,4-5H2,1-3H3,(H,26,27);8-11,15H,1-7H2,(H,26,27);9-11H,1-8H2,(H,23,24);8-9H,2-6H2,1H3,(H,21,22);7H,1-6H2,(H,18,19);2-5H2,1H3,(H,16,17);2-4H2,1H3,(H,15,16);2H2,1H3,(H,13,14)/p-10
InChIKeyQUORMMWWAWXXID-UHFFFAOYSA-D
MW3848.71 g/mol
LogP20.00
Rot. Bonds55

About 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate

3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate (PubChem CID 165058387) has the molecular formula C144H162F60O51-10 and a molecular weight of 3848.71 g/mol. Its IUPAC name is 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate
PubChem CID165058387
Molecular FormulaC144H162F60O51-10
Molecular Weight3848.71 g/mol
Exact Mass3846.92
IUPAC Name3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate
SMILESCC(=O)OC1CCCCC1OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(C)(C)OC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(C)C(OCC12CC3CC(CC(C3)C1)C2)C(=O)OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.CC1(C)OC(C(=O)OC2C3CC4CC(C3)CC2C4)C(C(=O)OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F)O1.CCCCOC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.COC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.COCCOC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C([O-])CC(OC(=O)CCC(=O)OC1C2CC3CC(C2)OC(=O)C1C3)(C(F)(F)F)C(F)(F)F.O=C([O-])CC(OC1CCCCC1)(C(F)(F)F)C(F)(F)F.O=C([O-])CC(OCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H26F6O8.C21H28F6O5.C19H20F6O9.C19H20F6O8.C16H20F6O3.C13H16F6O5.C11H14F6O3.C9H12F6O3.C8H10F6O4.C6H6F6O3/c1-19(2)34-15(17(31)33-14-11-4-9-3-10(6-11)7-12(14)5-9)16(35-19)18(32)36-20(8-13(29)30,21(23,24)25)22(26,27)28;1-11(2)16(31-10-18-6-12-3-13(7-18)5-14(4-12)8-18)17(30)32-19(9-15(28)29,20(22,23)24)21(25,26)27;1-16(2,3)34-15(30)32-12-7-4-6-9(13(28)31-11(6)12)10(7)14(29)33-17(5-8(26)27,18(20,21)22)19(23,24)25;20-18(21,22)17(7-12(26)27,19(23,24)25)33-14(29)2-1-13(28)32-15-9-3-8-4-10(6-9)31-16(30)11(15)5-8;17-15(18,19)14(7-12(23)24,16(20,21)22)25-8-13-4-9-1-10(5-13)3-11(2-9)6-13;1-7(20)23-8-4-2-3-5-9(8)24-11(6-10(21)22,12(14,15)16)13(17,18)19;12-10(13,14)9(6-8(18)19,11(15,16)17)20-7-4-2-1-3-5-7;1-2-3-4-18-7(5-6(16)17,8(10,11)12)9(13,14)15;1-17-2-3-18-6(4-5(15)16,7(9,10)11)8(12,13)14;1-15-4(2-3(13)14,5(7,8)9)6(10,11)12/h9-12,14-16H,3-8H2,1-2H3,(H,29,30);11-14,16H,3-10H2,1-2H3,(H,28,29);6-7,9-12H,4-5H2,1-3H3,(H,26,27);8-11,15H,1-7H2,(H,26,27);9-11H,1-8H2,(H,23,24);8-9H,2-6H2,1H3,(H,21,22);7H,1-6H2,(H,18,19);2-5H2,1H3,(H,16,17);2-4H2,1H3,(H,15,16);2H2,1H3,(H,13,14)/p-10
InChIKeyQUORMMWWAWXXID-UHFFFAOYSA-D
XLogP20.00
TPSA765.83 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds55
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003848.71
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate?
The IUPAC name of 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate (CID 165058387) is 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate.
What is the SMILES notation for 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate?
The canonical SMILES for 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate is CC(=O)OC1CCCCC1OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(C)(C)OC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(C)C(OCC12CC3CC(CC(C3)C1)C2)C(=O)OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.CC1(C)OC(C(=O)OC2C3CC4CC(C3)CC2C4)C(C(=O)OC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F)O1.CCCCOC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.COC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.COCCOC(CC(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C([O-])CC(OC(=O)CCC(=O)OC1C2CC3CC(C2)OC(=O)C1C3)(C(F)(F)F)C(F)(F)F.O=C([O-])CC(OC1CCCCC1)(C(F)(F)F)C(F)(F)F.O=C([O-])CC(OCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate?
The InChIKey is QUORMMWWAWXXID-UHFFFAOYSA-D. The full InChI is InChI=1S/C22H26F6O8.C21H28F6O5.C19H20F6O9.C19H20F6O8.C16H20F6O3.C13H16F6O5.C11H14F6O3.C9H12F6O3.C8H10F6O4.C6H6F6O3/c1-19(2)34-15(17(31)33-14-11-4-9-3-10(6-11)7-12(14)5-9)16(35-19)18(32)36-20(8-13(29)30,21(23,24)25)22(26,27)28;1-11(2)16(31-10-18-6-12-3-13(7-18)5-14(4-12)8-18)17(30)32-19(9-15(28)29,20(22,23)24)21(25,26)27;1-16(2,3)34-15(30)32-12-7-4-6-9(13(28)31-11(6)12)10(7)14(29)33-17(5-8(26)27,18(20,21)22)19(23,24)25;20-18(21,22)17(7-12(26)27,19(23,24)25)33-14(29)2-1-13(28)32-15-9-3-8-4-10(6-9)31-16(30)11(15)5-8;17-15(18,19)14(7-12(23)24,16(20,21)22)25-8-13-4-9-1-10(5-13)3-11(2-9)6-13;1-7(20)23-8-4-2-3-5-9(8)24-11(6-10(21)22,12(14,15)16)13(17,18)19;12-10(13,14)9(6-8(18)19,11(15,16)17)20-7-4-2-1-3-5-7;1-2-3-4-18-7(5-6(16)17,8(10,11)12)9(13,14)15;1-17-2-3-18-6(4-5(15)16,7(9,10)11)8(12,13)14;1-15-4(2-3(13)14,5(7,8)9)6(10,11)12/h9-12,14-16H,3-8H2,1-2H3,(H,29,30);11-14,16H,3-10H2,1-2H3,(H,28,29);6-7,9-12H,4-5H2,1-3H3,(H,26,27);8-11,15H,1-7H2,(H,26,27);9-11H,1-8H2,(H,23,24);8-9H,2-6H2,1H3,(H,21,22);7H,1-6H2,(H,18,19);2-5H2,1H3,(H,16,17);2-4H2,1H3,(H,15,16);2H2,1H3,(H,13,14)/p-10.
What are the key properties of 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate?
3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate has a molecular weight of 3848.71 g/mol, XLogP of 20.00, 55 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetyloxycyclohexyl)oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[2-(1-adamantylmethoxy)-3-methylbutanoyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-(1-adamantylmethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-[5-(2-adamantyloxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-butoxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3-(trifluoromethyl)butanoate;4,4,4-trifluoro-3-[4-oxo-4-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]butanoyl]oxy-3-(trifluoromethyl)butanoate is sourced from PubChem (CID 165058387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).