5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate

C201H167Cl2F45N18O15 — CID 157346303

IUPAC5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate
SMILESCCCCCCc1cnc(-c2cc(F)c(C(=O)Oc3ccc(F)cc3)c(F)c2)nc1.CCCCCCc1cnc(-c2ccc(C(F)(F)Oc3ccc(OC(F)(F)C(F)F)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(-c2cc(F)c(C(=O)Oc3ccc(C)cc3)c(F)c2)nc1.CCCCCc1cnc(-c2ccc(C(C)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(-c2ccc(C(F)(F)Oc3ccc(Cl)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2cc(F)c(C(=O)Oc3ccc(Cl)cc3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)nc1.O=C(Oc1ccc(F)c(F)c1)c1c(F)cc(-c2ncc(CCCF)cn2)cc1F
InChIInChI=1S/C25H22F8N2O2.C23H21F5N2O.C23H21F3N2O2.C23H22F2N2O2.C22H19ClF4N2O.C22H16F8N2O2.C22H16F8N2O.C21H17ClF2N2O2.C20H13F5N2O2/c1-2-3-4-5-6-15-13-34-22(35-14-15)16-7-9-18(19(26)11-16)24(30,31)36-17-8-10-21(20(27)12-17)37-25(32,33)23(28)29;1-3-4-5-6-14-12-29-22(30-13-14)15-7-8-17(18(24)9-15)23(2,28)31-16-10-19(25)21(27)20(26)11-16;1-2-3-4-5-6-15-13-27-22(28-14-15)16-11-19(25)21(20(26)12-16)23(29)30-18-9-7-17(24)8-10-18;1-3-4-5-6-16-13-26-22(27-14-16)17-11-19(24)21(20(25)12-17)23(28)29-18-9-7-15(2)8-10-18;1-2-3-4-5-14-12-28-21(29-13-14)15-6-8-17(19(24)10-15)22(26,27)30-16-7-9-18(23)20(25)11-16;1-2-3-4-12-10-31-20(32-11-12)13-5-6-15(16(23)7-13)21(26,27)33-14-8-17(24)19(18(25)9-14)34-22(28,29)30;1-2-3-4-12-10-31-20(32-11-12)13-5-6-15(16(23)7-13)22(29,30)33-14-8-17(24)19(18(25)9-14)21(26,27)28;1-2-3-4-13-11-25-20(26-12-13)14-9-17(23)19(18(24)10-14)21(27)28-16-7-5-15(22)6-8-16;21-5-1-2-11-9-26-19(27-10-11)12-6-16(24)18(17(25)7-12)20(28)29-13-3-4-14(22)15(23)8-13/h7-14,23H,2-6H2,1H3;7-13H,3-6H2,1-2H3;7-14H,2-6H2,1H3;7-14H,3-6H2,1-2H3;6-13H,2-5H2,1H3;5-11H,2-4H2,1H3;5-11H,2-4H2,1H3;5-12H,2-4H2,1H3;3-4,6-10H,1-2,5H2
InChIKeyBGZYDWICVHRDNM-UHFFFAOYSA-N
MW4000.47 g/mol
LogP57.52
Rot. Bonds70

About 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate

5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate (PubChem CID 157346303) has the molecular formula C201H167Cl2F45N18O15 and a molecular weight of 4000.47 g/mol. Its IUPAC name is 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate.

Molecular Properties

Compound Name5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate
PubChem CID157346303
Molecular FormulaC201H167Cl2F45N18O15
Molecular Weight4000.47 g/mol
Exact Mass3997.15
IUPAC Name5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate
SMILESCCCCCCc1cnc(-c2cc(F)c(C(=O)Oc3ccc(F)cc3)c(F)c2)nc1.CCCCCCc1cnc(-c2ccc(C(F)(F)Oc3ccc(OC(F)(F)C(F)F)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(-c2cc(F)c(C(=O)Oc3ccc(C)cc3)c(F)c2)nc1.CCCCCc1cnc(-c2ccc(C(C)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(-c2ccc(C(F)(F)Oc3ccc(Cl)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2cc(F)c(C(=O)Oc3ccc(Cl)cc3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)nc1.O=C(Oc1ccc(F)c(F)c1)c1c(F)cc(-c2ncc(CCCF)cn2)cc1F
InChIInChI=1S/C25H22F8N2O2.C23H21F5N2O.C23H21F3N2O2.C23H22F2N2O2.C22H19ClF4N2O.C22H16F8N2O2.C22H16F8N2O.C21H17ClF2N2O2.C20H13F5N2O2/c1-2-3-4-5-6-15-13-34-22(35-14-15)16-7-9-18(19(26)11-16)24(30,31)36-17-8-10-21(20(27)12-17)37-25(32,33)23(28)29;1-3-4-5-6-14-12-29-22(30-13-14)15-7-8-17(18(24)9-15)23(2,28)31-16-10-19(25)21(27)20(26)11-16;1-2-3-4-5-6-15-13-27-22(28-14-15)16-11-19(25)21(20(26)12-16)23(29)30-18-9-7-17(24)8-10-18;1-3-4-5-6-16-13-26-22(27-14-16)17-11-19(24)21(20(25)12-17)23(28)29-18-9-7-15(2)8-10-18;1-2-3-4-5-14-12-28-21(29-13-14)15-6-8-17(19(24)10-15)22(26,27)30-16-7-9-18(23)20(25)11-16;1-2-3-4-12-10-31-20(32-11-12)13-5-6-15(16(23)7-13)21(26,27)33-14-8-17(24)19(18(25)9-14)34-22(28,29)30;1-2-3-4-12-10-31-20(32-11-12)13-5-6-15(16(23)7-13)22(29,30)33-14-8-17(24)19(18(25)9-14)21(26,27)28;1-2-3-4-13-11-25-20(26-12-13)14-9-17(23)19(18(24)10-14)21(27)28-16-7-5-15(22)6-8-16;21-5-1-2-11-9-26-19(27-10-11)12-6-16(24)18(17(25)7-12)20(28)29-13-3-4-14(22)15(23)8-13/h7-14,23H,2-6H2,1H3;7-13H,3-6H2,1-2H3;7-14H,2-6H2,1H3;7-14H,3-6H2,1-2H3;6-13H,2-5H2,1H3;5-11H,2-4H2,1H3;5-11H,2-4H2,1H3;5-12H,2-4H2,1H3;3-4,6-10H,1-2,5H2
InChIKeyBGZYDWICVHRDNM-UHFFFAOYSA-N
XLogP57.52
TPSA401.83 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds70
Heavy Atoms281
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004000.47
LogP ≤ 557.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

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 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate?
The IUPAC name of 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate (CID 157346303) is 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate.
What is the SMILES notation for 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate?
The canonical SMILES for 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate is CCCCCCc1cnc(-c2cc(F)c(C(=O)Oc3ccc(F)cc3)c(F)c2)nc1.CCCCCCc1cnc(-c2ccc(C(F)(F)Oc3ccc(OC(F)(F)C(F)F)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(-c2cc(F)c(C(=O)Oc3ccc(C)cc3)c(F)c2)nc1.CCCCCc1cnc(-c2ccc(C(C)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(-c2ccc(C(F)(F)Oc3ccc(Cl)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2cc(F)c(C(=O)Oc3ccc(Cl)cc3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)nc1.O=C(Oc1ccc(F)c(F)c1)c1c(F)cc(-c2ncc(CCCF)cn2)cc1F.
What is the InChIKey of 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate?
The InChIKey is BGZYDWICVHRDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F8N2O2.C23H21F5N2O.C23H21F3N2O2.C23H22F2N2O2.C22H19ClF4N2O.C22H16F8N2O2.C22H16F8N2O.C21H17ClF2N2O2.C20H13F5N2O2/c1-2-3-4-5-6-15-13-34-22(35-14-15)16-7-9-18(19(26)11-16)24(30,31)36-17-8-10-21(20(27)12-17)37-25(32,33)23(28)29;1-3-4-5-6-14-12-29-22(30-13-14)15-7-8-17(18(24)9-15)23(2,28)31-16-10-19(25)21(27)20(26)11-16;1-2-3-4-5-6-15-13-27-22(28-14-15)16-11-19(25)21(20(26)12-16)23(29)30-18-9-7-17(24)8-10-18;1-3-4-5-6-16-13-26-22(27-14-16)17-11-19(24)21(20(25)12-17)23(28)29-18-9-7-15(2)8-10-18;1-2-3-4-5-14-12-28-21(29-13-14)15-6-8-17(19(24)10-15)22(26,27)30-16-7-9-18(23)20(25)11-16;1-2-3-4-12-10-31-20(32-11-12)13-5-6-15(16(23)7-13)21(26,27)33-14-8-17(24)19(18(25)9-14)34-22(28,29)30;1-2-3-4-12-10-31-20(32-11-12)13-5-6-15(16(23)7-13)22(29,30)33-14-8-17(24)19(18(25)9-14)21(26,27)28;1-2-3-4-13-11-25-20(26-12-13)14-9-17(23)19(18(24)10-14)21(27)28-16-7-5-15(22)6-8-16;21-5-1-2-11-9-26-19(27-10-11)12-6-16(24)18(17(25)7-12)20(28)29-13-3-4-14(22)15(23)8-13/h7-14,23H,2-6H2,1H3;7-13H,3-6H2,1-2H3;7-14H,2-6H2,1H3;7-14H,3-6H2,1-2H3;6-13H,2-5H2,1H3;5-11H,2-4H2,1H3;5-11H,2-4H2,1H3;5-12H,2-4H2,1H3;3-4,6-10H,1-2,5H2.
What are the key properties of 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate?
5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate has a molecular weight of 4000.47 g/mol, XLogP of 57.52, 70 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate is sourced from PubChem (CID 157346303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).