[4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate)

C292H231F37N2O30 — CID 159611469

IUPAC[4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate)
SMILESCCc1ccc(OC(=O)c2ccc(-c3ccc(C)c(F)c3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1F.Cc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(C4CCCCC4)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)c(F)c2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)c(F)c2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)cc2)cc1.Cc1cnc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)cc2)nc1
InChIInChI=1S/C29H27F3O4.C23H16F4O4.C22H15F5O2.3C22H16F4O2.2C22H17F3O2.C22H18F2O2.C22H19FO2.2C22H20O2.C20H14F4N2O2/c1-19-7-9-20(10-8-19)21-11-13-23(14-12-21)27(33)35-25-17-15-24(16-18-25)28(34)36-26(29(30,31)32)22-5-3-2-4-6-22;1-14-2-4-15(5-3-14)21(28)30-18-9-6-16(7-10-18)22(29)31-19-11-8-17(20(24)12-19)13-23(25,26)27;1-13-2-4-14(5-3-13)15-7-9-18(20(24)10-15)21(28)29-17-8-6-16(19(23)11-17)12-22(25,26)27;2*1-14-2-6-16(7-3-14)17-8-11-19(20(23)12-17)21(27)28-18-9-4-15(5-10-18)13-22(24,25)26;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)21(27)28-19-11-10-18(20(23)12-19)13-22(24,25)26;2*1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)21(26)27-20-12-4-16(5-13-20)14-22(23,24)25;1-3-15-8-10-18(13-20(15)23)26-22(25)19-11-9-17(12-21(19)24)16-6-4-14(2)5-7-16;1-3-16-5-12-20(13-6-16)25-22(24)18-10-8-17(9-11-18)19-7-4-15(2)21(23)14-19;2*1-3-17-6-14-21(15-7-17)24-22(23)20-12-10-19(11-13-20)18-8-4-16(2)5-9-18;1-12-10-25-18(26-11-12)13-2-4-14(5-3-13)19(27)28-16-7-6-15(17(21)8-16)9-20(22,23)24/h7-18,22,26H,2-6H2,1H3;2-12H,13H2,1H3;2-11H,12H2,1H3;3*2-12H,13H2,1H3;2*2-13H,14H2,1H3;4-13H,3H2,1-2H3;4-14H,3H2,1-2H3;2*4-15H,3H2,1-2H3;2-8,10-11H,9H2,1H3
InChIKeyMMSZHCSREFDYLT-UHFFFAOYSA-N
MW4950.97 g/mol
LogP76.95
Rot. Bonds55

About [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate)

[4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate) (PubChem CID 159611469) has the molecular formula C292H231F37N2O30 and a molecular weight of 4950.97 g/mol. Its IUPAC name is [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate).

Molecular Properties

Compound Name[4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate)
PubChem CID159611469
Molecular FormulaC292H231F37N2O30
Molecular Weight4950.97 g/mol
Exact Mass4947.60
IUPAC Name[4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate)
SMILESCCc1ccc(OC(=O)c2ccc(-c3ccc(C)c(F)c3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1F.Cc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(C4CCCCC4)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)c(F)c2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)c(F)c2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)cc2)cc1.Cc1cnc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)cc2)nc1
InChIInChI=1S/C29H27F3O4.C23H16F4O4.C22H15F5O2.3C22H16F4O2.2C22H17F3O2.C22H18F2O2.C22H19FO2.2C22H20O2.C20H14F4N2O2/c1-19-7-9-20(10-8-19)21-11-13-23(14-12-21)27(33)35-25-17-15-24(16-18-25)28(34)36-26(29(30,31)32)22-5-3-2-4-6-22;1-14-2-4-15(5-3-14)21(28)30-18-9-6-16(7-10-18)22(29)31-19-11-8-17(20(24)12-19)13-23(25,26)27;1-13-2-4-14(5-3-13)15-7-9-18(20(24)10-15)21(28)29-17-8-6-16(19(23)11-17)12-22(25,26)27;2*1-14-2-6-16(7-3-14)17-8-11-19(20(23)12-17)21(27)28-18-9-4-15(5-10-18)13-22(24,25)26;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)21(27)28-19-11-10-18(20(23)12-19)13-22(24,25)26;2*1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)21(26)27-20-12-4-16(5-13-20)14-22(23,24)25;1-3-15-8-10-18(13-20(15)23)26-22(25)19-11-9-17(12-21(19)24)16-6-4-14(2)5-7-16;1-3-16-5-12-20(13-6-16)25-22(24)18-10-8-17(9-11-18)19-7-4-15(2)21(23)14-19;2*1-3-17-6-14-21(15-7-17)24-22(23)20-12-10-19(11-13-20)18-8-4-16(2)5-9-18;1-12-10-25-18(26-11-12)13-2-4-14(5-3-13)19(27)28-16-7-6-15(17(21)8-16)9-20(22,23)24/h7-18,22,26H,2-6H2,1H3;2-12H,13H2,1H3;2-11H,12H2,1H3;3*2-12H,13H2,1H3;2*2-13H,14H2,1H3;4-13H,3H2,1-2H3;4-14H,3H2,1-2H3;2*4-15H,3H2,1-2H3;2-8,10-11H,9H2,1H3
InChIKeyMMSZHCSREFDYLT-UHFFFAOYSA-N
XLogP76.95
TPSA420.28 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds55
Heavy Atoms361
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004950.97
LogP ≤ 576.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate)?
The IUPAC name of [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate) (CID 159611469) is [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate).
What is the SMILES notation for [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate)?
The canonical SMILES for [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate) is CCc1ccc(OC(=O)c2ccc(-c3ccc(C)c(F)c3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1F.Cc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(C4CCCCC4)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)c(F)c2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)c(F)c2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)cc2)cc1.Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)cc3)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)cc2)cc1.Cc1cnc(-c2ccc(C(=O)Oc3ccc(CC(F)(F)F)c(F)c3)cc2)nc1.
What is the InChIKey of [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate)?
The InChIKey is MMSZHCSREFDYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3O4.C23H16F4O4.C22H15F5O2.3C22H16F4O2.2C22H17F3O2.C22H18F2O2.C22H19FO2.2C22H20O2.C20H14F4N2O2/c1-19-7-9-20(10-8-19)21-11-13-23(14-12-21)27(33)35-25-17-15-24(16-18-25)28(34)36-26(29(30,31)32)22-5-3-2-4-6-22;1-14-2-4-15(5-3-14)21(28)30-18-9-6-16(7-10-18)22(29)31-19-11-8-17(20(24)12-19)13-23(25,26)27;1-13-2-4-14(5-3-13)15-7-9-18(20(24)10-15)21(28)29-17-8-6-16(19(23)11-17)12-22(25,26)27;2*1-14-2-6-16(7-3-14)17-8-11-19(20(23)12-17)21(27)28-18-9-4-15(5-10-18)13-22(24,25)26;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)21(27)28-19-11-10-18(20(23)12-19)13-22(24,25)26;2*1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)21(26)27-20-12-4-16(5-13-20)14-22(23,24)25;1-3-15-8-10-18(13-20(15)23)26-22(25)19-11-9-17(12-21(19)24)16-6-4-14(2)5-7-16;1-3-16-5-12-20(13-6-16)25-22(24)18-10-8-17(9-11-18)19-7-4-15(2)21(23)14-19;2*1-3-17-6-14-21(15-7-17)24-22(23)20-12-10-19(11-13-20)18-8-4-16(2)5-9-18;1-12-10-25-18(26-11-12)13-2-4-14(5-3-13)19(27)28-16-7-6-15(17(21)8-16)9-20(22,23)24/h7-18,22,26H,2-6H2,1H3;2-12H,13H2,1H3;2-11H,12H2,1H3;3*2-12H,13H2,1H3;2*2-13H,14H2,1H3;4-13H,3H2,1-2H3;4-14H,3H2,1-2H3;2*4-15H,3H2,1-2H3;2-8,10-11H,9H2,1H3.
What are the key properties of [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate)?
[4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate) has a molecular weight of 4950.97 g/mol, XLogP of 76.95, 55 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclohexyl-2,2,2-trifluoroethoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;(4-ethylphenyl) 4-(3-fluoro-4-methylphenyl)benzoate;bis((4-ethylphenyl) 4-(4-methylphenyl)benzoate);[4-[3-fluoro-4-(2,2,2-trifluoroethyl)phenoxy]carbonylphenyl] 4-methylbenzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate;[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl] 4-(5-methylpyrimidin-2-yl)benzoate;bis([4-(2,2,2-trifluoroethyl)phenyl] 2-fluoro-4-(4-methylphenyl)benzoate);bis([4-(2,2,2-trifluoroethyl)phenyl] 4-(4-methylphenyl)benzoate) is sourced from PubChem (CID 159611469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).