(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol

C267H373F12N23O15 — CID 165109765

IUPAC(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)c1ccc(N2CC(O)C2)cc1.CC(C)c1ccc(N2CC3(CN(C)C3)C2)cc1.CC(C)c1ccc(N2CC3(COC3)C2)cc1.CC(C)c1ccc(N2CC3CC2CO3)cc1.CC(C)c1ccc(N2CC3CCC(C2)N3C)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC2CN3C)cc1.CC(C)c1ccc(N2CC3CCC2CO3)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CCOC(F)(F)C2)cc1.CC(C)c1ccc(N2CCOC3(CC3)C2)cc1.CC(C)c1ccc(N2CCO[C@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@@](C)(O)C2)cc1.CC(C)c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@](C)(O)C2)cc1.CC(C)c1ccc(N2CC[C@](O)(C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@](O)(C(F)F)C2)cc1.CCc1nc2cc(C(C)C)ccc2o1.Cc1ccc2c(ccn2CCO)c1
InChIInChI=1S/2C16H24N2.C15H22N2.C15H24N2.3C15H21NO.2C14H18F3NO.2C14H19F2NO.2C14H19NO.2C14H21NO.C13H17F2NO.C12H17NO.C12H15NO.C11H13NO/c1-12(2)13-4-6-14(7-5-13)18-11-15-8-9-16(18)10-17(15)3;1-12(2)13-4-6-14(7-5-13)18-10-15-8-9-16(11-18)17(15)3;1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-16(3)9-15;1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;1-11(2)12-3-5-13(6-4-12)16-9-15-8-7-14(16)10-17-15;1-11(2)12-3-5-13(6-4-12)16-9-14-7-8-15(10-16)17-14;1-12(2)13-3-5-14(6-4-13)16-9-10-17-15(11-16)7-8-15;2*1-10(2)11-3-5-12(6-4-11)18-8-7-13(19,9-18)14(15,16)17;1-10(2)11-3-5-12(6-4-11)17-8-7-14(18,9-17)13(15)16;1-10(2)11-3-5-12(6-4-11)17-7-8-18-13(9-17)14(15)16;1-11(2)12-3-5-13(6-4-12)15-7-14(8-15)9-16-10-14;1-10(2)11-3-5-12(6-4-11)15-8-14-7-13(15)9-16-14;2*1-11(2)12-4-6-13(7-5-12)15-9-8-14(3,16)10-15;1-10(2)11-3-5-12(6-4-11)16-7-8-17-13(14,15)9-16;1-9(2)10-3-5-11(6-4-10)13-7-12(14)8-13;1-4-12-13-10-7-9(8(2)3)5-6-11(10)14-12;1-9-2-3-11-10(8-9)4-5-12(11)6-7-13/h2*4-7,12,15-16H,8-11H2,1-3H3;4-7,12H,8-11H2,1-3H3;5-8,12-13H,9-11H2,1-4H3;2*3-6,11,14-15H,7-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;2*3-6,10,19H,7-9H2,1-2H3;3-6,10,13,18H,7-9H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;2*4-7,11,16H,8-10H2,1-3H3;3-6,10H,7-9H2,1-2H3;3-6,9,12,14H,7-8H2,1-2H3;5-8H,4H2,1-3H3;2-5,8,13H,6-7H2,1H3/t;;;13-;;;;2*13-;14-;13-;;;2*14-;;;;/m...1...1010..10..../s1
InChIKeyZTFRLQGYFDJKPF-VWWYIGQOSA-N
MW4373.04 g/mol
LogP55.82
Rot. Bonds40

About (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol

(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 165109765) has the molecular formula C267H373F12N23O15 and a molecular weight of 4373.04 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID165109765
Molecular FormulaC267H373F12N23O15
Molecular Weight4373.04 g/mol
Exact Mass4369.89
IUPAC Name(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)c1ccc(N2CC(O)C2)cc1.CC(C)c1ccc(N2CC3(CN(C)C3)C2)cc1.CC(C)c1ccc(N2CC3(COC3)C2)cc1.CC(C)c1ccc(N2CC3CC2CO3)cc1.CC(C)c1ccc(N2CC3CCC(C2)N3C)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC2CN3C)cc1.CC(C)c1ccc(N2CC3CCC2CO3)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CCOC(F)(F)C2)cc1.CC(C)c1ccc(N2CCOC3(CC3)C2)cc1.CC(C)c1ccc(N2CCO[C@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@@](C)(O)C2)cc1.CC(C)c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@](C)(O)C2)cc1.CC(C)c1ccc(N2CC[C@](O)(C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@](O)(C(F)F)C2)cc1.CCc1nc2cc(C(C)C)ccc2o1.Cc1ccc2c(ccn2CCO)c1
InChIInChI=1S/2C16H24N2.C15H22N2.C15H24N2.3C15H21NO.2C14H18F3NO.2C14H19F2NO.2C14H19NO.2C14H21NO.C13H17F2NO.C12H17NO.C12H15NO.C11H13NO/c1-12(2)13-4-6-14(7-5-13)18-11-15-8-9-16(18)10-17(15)3;1-12(2)13-4-6-14(7-5-13)18-10-15-8-9-16(11-18)17(15)3;1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-16(3)9-15;1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;1-11(2)12-3-5-13(6-4-12)16-9-15-8-7-14(16)10-17-15;1-11(2)12-3-5-13(6-4-12)16-9-14-7-8-15(10-16)17-14;1-12(2)13-3-5-14(6-4-13)16-9-10-17-15(11-16)7-8-15;2*1-10(2)11-3-5-12(6-4-11)18-8-7-13(19,9-18)14(15,16)17;1-10(2)11-3-5-12(6-4-11)17-8-7-14(18,9-17)13(15)16;1-10(2)11-3-5-12(6-4-11)17-7-8-18-13(9-17)14(15)16;1-11(2)12-3-5-13(6-4-12)15-7-14(8-15)9-16-10-14;1-10(2)11-3-5-12(6-4-11)15-8-14-7-13(15)9-16-14;2*1-11(2)12-4-6-13(7-5-12)15-9-8-14(3,16)10-15;1-10(2)11-3-5-12(6-4-11)16-7-8-17-13(14,15)9-16;1-9(2)10-3-5-11(6-4-10)13-7-12(14)8-13;1-4-12-13-10-7-9(8(2)3)5-6-11(10)14-12;1-9-2-3-11-10(8-9)4-5-12(11)6-7-13/h2*4-7,12,15-16H,8-11H2,1-3H3;4-7,12H,8-11H2,1-3H3;5-8,12-13H,9-11H2,1-4H3;2*3-6,11,14-15H,7-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;2*3-6,10,19H,7-9H2,1-2H3;3-6,10,13,18H,7-9H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;2*4-7,11,16H,8-10H2,1-3H3;3-6,10H,7-9H2,1-2H3;3-6,9,12,14H,7-8H2,1-2H3;5-8H,4H2,1-3H3;2-5,8,13H,6-7H2,1H3/t;;;13-;;;;2*13-;14-;13-;;;2*14-;;;;/m...1...1010..10..../s1
InChIKeyZTFRLQGYFDJKPF-VWWYIGQOSA-N
XLogP55.82
TPSA305.22 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004373.04
LogP ≤ 555.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Analyze (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol with MolForge

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What is the IUPAC name of (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 165109765) is (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol is CC(C)c1ccc(N2CC(O)C2)cc1.CC(C)c1ccc(N2CC3(CN(C)C3)C2)cc1.CC(C)c1ccc(N2CC3(COC3)C2)cc1.CC(C)c1ccc(N2CC3CC2CO3)cc1.CC(C)c1ccc(N2CC3CCC(C2)N3C)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC2CN3C)cc1.CC(C)c1ccc(N2CC3CCC2CO3)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CCOC(F)(F)C2)cc1.CC(C)c1ccc(N2CCOC3(CC3)C2)cc1.CC(C)c1ccc(N2CCO[C@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@@](C)(O)C2)cc1.CC(C)c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@](C)(O)C2)cc1.CC(C)c1ccc(N2CC[C@](O)(C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@](O)(C(F)F)C2)cc1.CCc1nc2cc(C(C)C)ccc2o1.Cc1ccc2c(ccn2CCO)c1.
What is the InChIKey of (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is ZTFRLQGYFDJKPF-VWWYIGQOSA-N. The full InChI is InChI=1S/2C16H24N2.C15H22N2.C15H24N2.3C15H21NO.2C14H18F3NO.2C14H19F2NO.2C14H19NO.2C14H21NO.C13H17F2NO.C12H17NO.C12H15NO.C11H13NO/c1-12(2)13-4-6-14(7-5-13)18-11-15-8-9-16(18)10-17(15)3;1-12(2)13-4-6-14(7-5-13)18-10-15-8-9-16(11-18)17(15)3;1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-16(3)9-15;1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;1-11(2)12-3-5-13(6-4-12)16-9-15-8-7-14(16)10-17-15;1-11(2)12-3-5-13(6-4-12)16-9-14-7-8-15(10-16)17-14;1-12(2)13-3-5-14(6-4-13)16-9-10-17-15(11-16)7-8-15;2*1-10(2)11-3-5-12(6-4-11)18-8-7-13(19,9-18)14(15,16)17;1-10(2)11-3-5-12(6-4-11)17-8-7-14(18,9-17)13(15)16;1-10(2)11-3-5-12(6-4-11)17-7-8-18-13(9-17)14(15)16;1-11(2)12-3-5-13(6-4-12)15-7-14(8-15)9-16-10-14;1-10(2)11-3-5-12(6-4-11)15-8-14-7-13(15)9-16-14;2*1-11(2)12-4-6-13(7-5-12)15-9-8-14(3,16)10-15;1-10(2)11-3-5-12(6-4-11)16-7-8-17-13(14,15)9-16;1-9(2)10-3-5-11(6-4-10)13-7-12(14)8-13;1-4-12-13-10-7-9(8(2)3)5-6-11(10)14-12;1-9-2-3-11-10(8-9)4-5-12(11)6-7-13/h2*4-7,12,15-16H,8-11H2,1-3H3;4-7,12H,8-11H2,1-3H3;5-8,12-13H,9-11H2,1-4H3;2*3-6,11,14-15H,7-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;2*3-6,10,19H,7-9H2,1-2H3;3-6,10,13,18H,7-9H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3;2*4-7,11,16H,8-10H2,1-3H3;3-6,10H,7-9H2,1-2H3;3-6,9,12,14H,7-8H2,1-2H3;5-8H,4H2,1-3H3;2-5,8,13H,6-7H2,1H3/t;;;13-;;;;2*13-;14-;13-;;;2*14-;;;;/m...1...1010..10..../s1.
What are the key properties of (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 4373.04 g/mol, XLogP of 55.82, 40 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;2,2-difluoro-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;2-(5-methylindol-1-yl)ethanol;2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;6-methyl-2-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptane;(3S)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3R)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)azetidin-3-ol;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane;5-(4-propan-2-ylphenyl)-2-oxa-5-azabicyclo[2.2.2]octane;6-(4-propan-2-ylphenyl)-2-oxa-6-azaspiro[3.3]heptane;7-(4-propan-2-ylphenyl)-4-oxa-7-azaspiro[2.5]octane;(3R)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 165109765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).