(4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate

C190H148Cl2F38N18O16 — CID 160591293

IUPAC(4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate
SMILESCCCCCCc1cnc(-c2ccc(C(=O)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)nc1.CCCCCc1cc(F)c(-c2cnc(-c3ccc(F)cc3)nc2)c(F)c1.CCCCCc1cnc(-c2ccc(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(=O)Oc3ccc(Cl)cc3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(=O)Oc3ccc(OC(F)(F)C(F)F)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(C(=O)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(C(=O)Oc3ccc(Cl)c(F)c3)c(F)c2)nc1.CCc1cnc(-c2ccc(C(=O)Oc3cccc(F)c3)c(F)c2)nc1.FCCc1cc(F)c(-c2cnc(-c3cc(F)c(F)c(F)c3)nc2)c(F)c1.FCF
InChIInChI=1S/C24H20F6N2O3.C23H18F6N2O3.C22H18F4N2O2.C21H18ClFN2O2.C21H14F6N2O2.C21H19F3N2.C20H15ClF2N2O2.C19H14F2N2O2.C18H10F6N2.CH2F2/c1-2-3-4-5-6-14-12-31-22(32-13-14)15-7-8-17(18(25)9-15)23(33)34-16-10-19(26)21(20(27)11-16)35-24(28,29)30;1-2-3-4-13-11-30-20(31-12-13)14-5-7-16(17(24)9-14)21(32)33-15-6-8-19(18(25)10-15)34-23(28,29)22(26)27;1-2-3-4-5-13-11-27-21(28-12-13)14-6-7-16(17(23)8-14)22(29)30-15-9-18(24)20(26)19(25)10-15;1-2-3-4-14-12-24-20(25-13-14)15-5-10-18(19(23)11-15)21(26)27-17-8-6-16(22)7-9-17;1-2-3-11-9-28-19(29-10-11)12-4-5-14(15(22)6-12)20(30)31-13-7-16(23)18(17(24)8-13)21(25,26)27;1-2-3-4-5-14-10-18(23)20(19(24)11-14)16-12-25-21(26-13-16)15-6-8-17(22)9-7-15;1-2-3-12-10-24-19(25-11-12)13-4-6-15(17(22)8-13)20(26)27-14-5-7-16(21)18(23)9-14;1-2-12-10-22-18(23-11-12)13-6-7-16(17(21)8-13)19(24)25-15-5-3-4-14(20)9-15;19-2-1-9-3-12(20)16(13(21)4-9)11-7-25-18(26-8-11)10-5-14(22)17(24)15(23)6-10;2-1-3/h7-13H,2-6H2,1H3;5-12,22H,2-4H2,1H3;6-12H,2-5H2,1H3;5-13H,2-4H2,1H3;4-10H,2-3H2,1H3;6-13H,2-5H2,1H3;4-11H,2-3H2,1H3;3-11H,2H2,1H3;3-8H,1-2H2;1H2
InChIKeyRDBAKFGPKFOQRB-UHFFFAOYSA-N
MW3732.21 g/mol
LogP51.23
Rot. Bonds55

About (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate

(4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate (PubChem CID 160591293) has the molecular formula C190H148Cl2F38N18O16 and a molecular weight of 3732.21 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate
PubChem CID160591293
Molecular FormulaC190H148Cl2F38N18O16
Molecular Weight3732.21 g/mol
Exact Mass3729.01
IUPAC Name(4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate
SMILESCCCCCCc1cnc(-c2ccc(C(=O)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)nc1.CCCCCc1cc(F)c(-c2cnc(-c3ccc(F)cc3)nc2)c(F)c1.CCCCCc1cnc(-c2ccc(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(=O)Oc3ccc(Cl)cc3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(=O)Oc3ccc(OC(F)(F)C(F)F)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(C(=O)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(C(=O)Oc3ccc(Cl)c(F)c3)c(F)c2)nc1.CCc1cnc(-c2ccc(C(=O)Oc3cccc(F)c3)c(F)c2)nc1.FCCc1cc(F)c(-c2cnc(-c3cc(F)c(F)c(F)c3)nc2)c(F)c1.FCF
InChIInChI=1S/C24H20F6N2O3.C23H18F6N2O3.C22H18F4N2O2.C21H18ClFN2O2.C21H14F6N2O2.C21H19F3N2.C20H15ClF2N2O2.C19H14F2N2O2.C18H10F6N2.CH2F2/c1-2-3-4-5-6-14-12-31-22(32-13-14)15-7-8-17(18(25)9-15)23(33)34-16-10-19(26)21(20(27)11-16)35-24(28,29)30;1-2-3-4-13-11-30-20(31-12-13)14-5-7-16(17(24)9-14)21(32)33-15-6-8-19(18(25)10-15)34-23(28,29)22(26)27;1-2-3-4-5-13-11-27-21(28-12-13)14-6-7-16(17(23)8-14)22(29)30-15-9-18(24)20(26)19(25)10-15;1-2-3-4-14-12-24-20(25-13-14)15-5-10-18(19(23)11-15)21(26)27-17-8-6-16(22)7-9-17;1-2-3-11-9-28-19(29-10-11)12-4-5-14(15(22)6-12)20(30)31-13-7-16(23)18(17(24)8-13)21(25,26)27;1-2-3-4-5-14-10-18(23)20(19(24)11-14)16-12-25-21(26-13-16)15-6-8-17(22)9-7-15;1-2-3-12-10-24-19(25-11-12)13-4-6-15(17(22)8-13)20(26)27-14-5-7-16(21)18(23)9-14;1-2-12-10-22-18(23-11-12)13-6-7-16(17(21)8-13)19(24)25-15-5-3-4-14(20)9-15;19-2-1-9-3-12(20)16(13(21)4-9)11-7-25-18(26-8-11)10-5-14(22)17(24)15(23)6-10;2-1-3/h7-13H,2-6H2,1H3;5-12,22H,2-4H2,1H3;6-12H,2-5H2,1H3;5-13H,2-4H2,1H3;4-10H,2-3H2,1H3;6-13H,2-5H2,1H3;4-11H,2-3H2,1H3;3-11H,2H2,1H3;3-8H,1-2H2;1H2
InChIKeyRDBAKFGPKFOQRB-UHFFFAOYSA-N
XLogP51.23
TPSA434.58 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds55
Heavy Atoms264
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003732.21
LogP ≤ 551.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate?
The IUPAC name of (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate (CID 160591293) is (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate.
What is the SMILES notation for (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate?
The canonical SMILES for (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate is CCCCCCc1cnc(-c2ccc(C(=O)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)nc1.CCCCCc1cc(F)c(-c2cnc(-c3ccc(F)cc3)nc2)c(F)c1.CCCCCc1cnc(-c2ccc(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(=O)Oc3ccc(Cl)cc3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(=O)Oc3ccc(OC(F)(F)C(F)F)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(C(=O)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2ccc(C(=O)Oc3ccc(Cl)c(F)c3)c(F)c2)nc1.CCc1cnc(-c2ccc(C(=O)Oc3cccc(F)c3)c(F)c2)nc1.FCCc1cc(F)c(-c2cnc(-c3cc(F)c(F)c(F)c3)nc2)c(F)c1.FCF.
What is the InChIKey of (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate?
The InChIKey is RDBAKFGPKFOQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N2O3.C23H18F6N2O3.C22H18F4N2O2.C21H18ClFN2O2.C21H14F6N2O2.C21H19F3N2.C20H15ClF2N2O2.C19H14F2N2O2.C18H10F6N2.CH2F2/c1-2-3-4-5-6-14-12-31-22(32-13-14)15-7-8-17(18(25)9-15)23(33)34-16-10-19(26)21(20(27)11-16)35-24(28,29)30;1-2-3-4-13-11-30-20(31-12-13)14-5-7-16(17(24)9-14)21(32)33-15-6-8-19(18(25)10-15)34-23(28,29)22(26)27;1-2-3-4-5-13-11-27-21(28-12-13)14-6-7-16(17(23)8-14)22(29)30-15-9-18(24)20(26)19(25)10-15;1-2-3-4-14-12-24-20(25-13-14)15-5-10-18(19(23)11-15)21(26)27-17-8-6-16(22)7-9-17;1-2-3-11-9-28-19(29-10-11)12-4-5-14(15(22)6-12)20(30)31-13-7-16(23)18(17(24)8-13)21(25,26)27;1-2-3-4-5-14-10-18(23)20(19(24)11-14)16-12-25-21(26-13-16)15-6-8-17(22)9-7-15;1-2-3-12-10-24-19(25-11-12)13-4-6-15(17(22)8-13)20(26)27-14-5-7-16(21)18(23)9-14;1-2-12-10-22-18(23-11-12)13-6-7-16(17(21)8-13)19(24)25-15-5-3-4-14(20)9-15;19-2-1-9-3-12(20)16(13(21)4-9)11-7-25-18(26-8-11)10-5-14(22)17(24)15(23)6-10;2-1-3/h7-13H,2-6H2,1H3;5-12,22H,2-4H2,1H3;6-12H,2-5H2,1H3;5-13H,2-4H2,1H3;4-10H,2-3H2,1H3;6-13H,2-5H2,1H3;4-11H,2-3H2,1H3;3-11H,2H2,1H3;3-8H,1-2H2;1H2.
What are the key properties of (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate?
(4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate has a molecular weight of 3732.21 g/mol, XLogP of 51.23, 55 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl) 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine;difluoromethane;5-(2,6-difluoro-4-pentylphenyl)-2-(4-fluorophenyl)pyrimidine;[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate;[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-(5-propylpyrimidin-2-yl)benzoate;(3-fluorophenyl) 4-(5-ethylpyrimidin-2-yl)-2-fluorobenzoate;[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl] 4-(5-butylpyrimidin-2-yl)-2-fluorobenzoate;(3,4,5-trifluorophenyl) 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate is sourced from PubChem (CID 160591293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).