2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide)

C246H312B4Br2Cl3F24N2O52P2S8+ — CID 158996063

IUPAC2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide)
SMILESC.C.C.C.C.CC1(C)CCC=C1B1OC(C)(C)C(C)(C)O1.CC1(C)CCC=C1OS(=O)(=O)C(F)(F)F.CC1(C)CCCC1=O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc(-c2cc(OC)ccc2F)c(C2=CCCC2(C)C)c1.COC(=O)c1ccc(O)c(Br)c1.COC(=O)c1ccc(O)c(C2=CCCC2(C)C)c1.COC(=O)c1ccc(OC2CCCCO2)c(Br)c1.COC(=O)c1ccc(OC2CCCCO2)c(C2=CCCC2(C)C)c1.COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C2=CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(C(=O)O)cc2C2=CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(CCl)cc2[C@H]2CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(CO)cc2[C@@H]2CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(CO)cc2[C@H]2CCCC2(C)C)c1.COc1ccc(F)c(B(O)O)c1.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(Cl)Cl.[3H][P+](P)=S
InChIInChI=1S/C22H23FO3.C21H24ClFO.C21H21FO3.2C21H25FO2.C20H26O4.C16H17F3O5S.C15H18O3.C13H23BO2.C13H15BrO4.C12H24B2O4.C8H7BrO3.2C8H5F6NO4S2.C8H11F3O3S.C7H8BFO3.C7H12O.5CH4.Cl2OS.H2P2S/c1-22(2)11-5-6-19(22)17-12-14(21(24)26-4)7-9-16(17)18-13-15(25-3)8-10-20(18)23;1-21(2)10-4-5-19(21)17-11-14(13-22)6-8-16(17)18-12-15(24-3)7-9-20(18)23;1-21(2)10-4-5-18(21)16-11-13(20(23)24)6-8-15(16)17-12-14(25-3)7-9-19(17)22;2*1-21(2)10-4-5-19(21)17-11-14(13-23)6-8-16(17)18-12-15(24-3)7-9-20(18)22;1-20(2)11-6-7-16(20)15-13-14(19(21)22-3)9-10-17(15)24-18-8-4-5-12-23-18;1-15(2)8-4-5-12(15)11-9-10(14(20)23-3)6-7-13(11)24-25(21,22)16(17,18)19;1-15(2)8-4-5-12(15)11-9-10(14(17)18-3)6-7-13(11)16;1-11(2)9-7-8-10(11)14-15-12(3,4)13(5,6)16-14;1-16-13(15)9-5-6-11(10(14)8-9)18-12-4-2-3-7-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12-8(11)5-2-3-7(10)6(9)4-5;2*9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-7(2)5-3-4-6(7)14-15(12,13)8(9,10)11;1-12-5-2-3-7(9)6(4-5)8(10)11;1-7(2)5-3-4-6(7)8;;;;;;1-4(2)3;1-2-3/h6-10,12-13H,5,11H2,1-4H3;6-9,11-12,19H,4-5,10,13H2,1-3H3;5-9,11-12H,4,10H2,1-3H3,(H,23,24);2*6-9,11-12,19,23H,4-5,10,13H2,1-3H3;7,9-10,13,18H,4-6,8,11-12H2,1-3H3;5-7,9H,4,8H2,1-3H3;5-7,9,16H,4,8H2,1-3H3;8H,7,9H2,1-6H3;5-6,8,12H,2-4,7H2,1H3;1-8H3;2-4,10H,1H3;2*1-5H;4H,3,5H2,1-2H3;2-4,10-11H,1H3;3-5H2,1-2H3;5*1H4;;1H2/p+1/t;19-;;2*19-;;;;;;;;;;;;;;;;;;;/m.1.10.................../s1/i/hT
InChIKeyJASIBKWNHCGYPL-YACFQRQNSA-O
MW5215.02 g/mol
LogP63.93
Rot. Bonds46

About 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide)

2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide) (PubChem CID 158996063) has the molecular formula C246H312B4Br2Cl3F24N2O52P2S8+ and a molecular weight of 5215.02 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide).

Molecular Properties

Compound Name2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide)
PubChem CID158996063
Molecular FormulaC246H312B4Br2Cl3F24N2O52P2S8+
Molecular Weight5215.02 g/mol
Exact Mass5208.66
IUPAC Name2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide)
SMILESC.C.C.C.C.CC1(C)CCC=C1B1OC(C)(C)C(C)(C)O1.CC1(C)CCC=C1OS(=O)(=O)C(F)(F)F.CC1(C)CCCC1=O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc(-c2cc(OC)ccc2F)c(C2=CCCC2(C)C)c1.COC(=O)c1ccc(O)c(Br)c1.COC(=O)c1ccc(O)c(C2=CCCC2(C)C)c1.COC(=O)c1ccc(OC2CCCCO2)c(Br)c1.COC(=O)c1ccc(OC2CCCCO2)c(C2=CCCC2(C)C)c1.COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C2=CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(C(=O)O)cc2C2=CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(CCl)cc2[C@H]2CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(CO)cc2[C@@H]2CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(CO)cc2[C@H]2CCCC2(C)C)c1.COc1ccc(F)c(B(O)O)c1.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(Cl)Cl.[3H][P+](P)=S
InChIInChI=1S/C22H23FO3.C21H24ClFO.C21H21FO3.2C21H25FO2.C20H26O4.C16H17F3O5S.C15H18O3.C13H23BO2.C13H15BrO4.C12H24B2O4.C8H7BrO3.2C8H5F6NO4S2.C8H11F3O3S.C7H8BFO3.C7H12O.5CH4.Cl2OS.H2P2S/c1-22(2)11-5-6-19(22)17-12-14(21(24)26-4)7-9-16(17)18-13-15(25-3)8-10-20(18)23;1-21(2)10-4-5-19(21)17-11-14(13-22)6-8-16(17)18-12-15(24-3)7-9-20(18)23;1-21(2)10-4-5-18(21)16-11-13(20(23)24)6-8-15(16)17-12-14(25-3)7-9-19(17)22;2*1-21(2)10-4-5-19(21)17-11-14(13-23)6-8-16(17)18-12-15(24-3)7-9-20(18)22;1-20(2)11-6-7-16(20)15-13-14(19(21)22-3)9-10-17(15)24-18-8-4-5-12-23-18;1-15(2)8-4-5-12(15)11-9-10(14(20)23-3)6-7-13(11)24-25(21,22)16(17,18)19;1-15(2)8-4-5-12(15)11-9-10(14(17)18-3)6-7-13(11)16;1-11(2)9-7-8-10(11)14-15-12(3,4)13(5,6)16-14;1-16-13(15)9-5-6-11(10(14)8-9)18-12-4-2-3-7-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12-8(11)5-2-3-7(10)6(9)4-5;2*9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-7(2)5-3-4-6(7)14-15(12,13)8(9,10)11;1-12-5-2-3-7(9)6(4-5)8(10)11;1-7(2)5-3-4-6(7)8;;;;;;1-4(2)3;1-2-3/h6-10,12-13H,5,11H2,1-4H3;6-9,11-12,19H,4-5,10,13H2,1-3H3;5-9,11-12H,4,10H2,1-3H3,(H,23,24);2*6-9,11-12,19,23H,4-5,10,13H2,1-3H3;7,9-10,13,18H,4-6,8,11-12H2,1-3H3;5-7,9H,4,8H2,1-3H3;5-7,9,16H,4,8H2,1-3H3;8H,7,9H2,1-6H3;5-6,8,12H,2-4,7H2,1H3;1-8H3;2-4,10H,1H3;2*1-5H;4H,3,5H2,1-2H3;2-4,10-11H,1H3;3-5H2,1-2H3;5*1H4;;1H2/p+1/t;19-;;2*19-;;;;;;;;;;;;;;;;;;;/m.1.10.................../s1/i/hT
InChIKeyJASIBKWNHCGYPL-YACFQRQNSA-O
XLogP63.93
TPSA728.08 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds46
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005215.02
LogP ≤ 563.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Analyze 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The IUPAC name of 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide) (CID 158996063) is 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide).
What is the SMILES notation for 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The canonical SMILES for 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide) is C.C.C.C.C.CC1(C)CCC=C1B1OC(C)(C)C(C)(C)O1.CC1(C)CCC=C1OS(=O)(=O)C(F)(F)F.CC1(C)CCCC1=O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc(-c2cc(OC)ccc2F)c(C2=CCCC2(C)C)c1.COC(=O)c1ccc(O)c(Br)c1.COC(=O)c1ccc(O)c(C2=CCCC2(C)C)c1.COC(=O)c1ccc(OC2CCCCO2)c(Br)c1.COC(=O)c1ccc(OC2CCCCO2)c(C2=CCCC2(C)C)c1.COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C2=CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(C(=O)O)cc2C2=CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(CCl)cc2[C@H]2CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(CO)cc2[C@@H]2CCCC2(C)C)c1.COc1ccc(F)c(-c2ccc(CO)cc2[C@H]2CCCC2(C)C)c1.COc1ccc(F)c(B(O)O)c1.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(Cl)Cl.[3H][P+](P)=S.
What is the InChIKey of 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The InChIKey is JASIBKWNHCGYPL-YACFQRQNSA-O. The full InChI is InChI=1S/C22H23FO3.C21H24ClFO.C21H21FO3.2C21H25FO2.C20H26O4.C16H17F3O5S.C15H18O3.C13H23BO2.C13H15BrO4.C12H24B2O4.C8H7BrO3.2C8H5F6NO4S2.C8H11F3O3S.C7H8BFO3.C7H12O.5CH4.Cl2OS.H2P2S/c1-22(2)11-5-6-19(22)17-12-14(21(24)26-4)7-9-16(17)18-13-15(25-3)8-10-20(18)23;1-21(2)10-4-5-19(21)17-11-14(13-22)6-8-16(17)18-12-15(24-3)7-9-20(18)23;1-21(2)10-4-5-18(21)16-11-13(20(23)24)6-8-15(16)17-12-14(25-3)7-9-19(17)22;2*1-21(2)10-4-5-19(21)17-11-14(13-23)6-8-16(17)18-12-15(24-3)7-9-20(18)22;1-20(2)11-6-7-16(20)15-13-14(19(21)22-3)9-10-17(15)24-18-8-4-5-12-23-18;1-15(2)8-4-5-12(15)11-9-10(14(20)23-3)6-7-13(11)24-25(21,22)16(17,18)19;1-15(2)8-4-5-12(15)11-9-10(14(17)18-3)6-7-13(11)16;1-11(2)9-7-8-10(11)14-15-12(3,4)13(5,6)16-14;1-16-13(15)9-5-6-11(10(14)8-9)18-12-4-2-3-7-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12-8(11)5-2-3-7(10)6(9)4-5;2*9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-7(2)5-3-4-6(7)14-15(12,13)8(9,10)11;1-12-5-2-3-7(9)6(4-5)8(10)11;1-7(2)5-3-4-6(7)8;;;;;;1-4(2)3;1-2-3/h6-10,12-13H,5,11H2,1-4H3;6-9,11-12,19H,4-5,10,13H2,1-3H3;5-9,11-12H,4,10H2,1-3H3,(H,23,24);2*6-9,11-12,19,23H,4-5,10,13H2,1-3H3;7,9-10,13,18H,4-6,8,11-12H2,1-3H3;5-7,9H,4,8H2,1-3H3;5-7,9,16H,4,8H2,1-3H3;8H,7,9H2,1-6H3;5-6,8,12H,2-4,7H2,1H3;1-8H3;2-4,10H,1H3;2*1-5H;4H,3,5H2,1-2H3;2-4,10-11H,1H3;3-5H2,1-2H3;5*1H4;;1H2/p+1/t;19-;;2*19-;;;;;;;;;;;;;;;;;;;/m.1.10.................../s1/i/hT.
What are the key properties of 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide)?
2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide) has a molecular weight of 5215.02 g/mol, XLogP of 63.93, 46 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-2-[(1S)-2,2-dimethylcyclopentyl]phenyl]-1-fluoro-4-methoxybenzene;2,2-dimethylcyclopentan-1-one;3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoic acid;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(5,5-dimethylcyclopenten-1-yl) trifluoromethanesulfonate;[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;(2-fluoro-5-methoxyphenyl)boronic acid;methane;methyl 3-bromo-4-hydroxybenzoate;methyl 3-bromo-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(oxan-2-yloxy)benzoate;methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-(trifluoromethylsulfonyloxy)benzoate;phosphanyl-sulfanylidene-tritiophosphanium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;thionyl dichloride;bis(1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide) is sourced from PubChem (CID 158996063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).