8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine

C₂₃₄H₂₈₃F₆₀N₁₉O₁₃ — CID 162112080

About 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine

8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 162112080) has the molecular formula C₂₃₄H₂₈₃F₆₀N₁₉O₁₃ and a molecular weight of 4709.84 g/mol. Its IUPAC name is 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

• Compound Name: 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
• PubChem CID: 162112080
• Molecular Formula: C₂₃₄H₂₈₃F₆₀N₁₉O₁₃
• Molecular Weight: 4709.84 g/mol
• Exact Mass: 4707.11
• IUPAC Name: 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
• SMILES: CC(C)N1CCOc2ccc(C(F)(F)F)cc2C1.CC(C)N1CCc2c(F)cc(C(F)(F)F)cc2C1.CC(C)N1CCc2c(cc(C(F)(F)F)cc2C(F)(F)F)C1.CC(C)N1CCc2ccc(C(F)(F)F)cc2C1.CC(C)N1CCc2ncc(C(F)(F)F)cc2C1.CC(C)N1COc2c(F)cc(C(F)(F)F)cc2C1.CC(C)N1COc2ccc(C(F)(F)F)cc2C1.CC(C)N1COc2ccc(C(F)(F)F)cc2C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2C(F)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2C(O)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2[C@@H](O)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2[C@@](C)(O)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2[C@H](O)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2[C@](C)(O)C1.CC(C)N1Cc2ccc(C(F)(F)F)cc2C1.COC1CN(C(C)C)Cc2cc(C(F)(F)F)ccc21.COc1cc(C(F)(F)F)cc2c1CCN(C(C)C)C2.COc1cc(C(F)(F)F)cc2c1OCN(C(C)C)C2
• InChI: InChI=1S/C14H15F6N.4C14H18F3NO.2C13H15F4N.C13H16F3NO2.4C13H16F3NO.C13H16F3N.C12H13F4NO.C12H15F3N2.2C12H14F3NO.C12H14F3N/c1-8(2)21-4-3-11-9(7-21)5-10(13(15,16)17)6-12(11)14(18,19)20;1-9(2)18-5-4-12-10(8-18)6-11(14(15,16)17)7-13(12)19-3;1-9(2)18-7-10-6-11(14(15,16)17)4-5-12(10)13(8-18)19-3;2*1-9(2)18-7-10-6-11(14(15,16)17)4-5-12(10)13(3,19)8-18;1-8(2)18-4-3-11-9(7-18)5-10(6-12(11)14)13(15,16)17;1-8(2)18-6-9-5-10(13(15,16)17)3-4-11(9)12(14)7-18;1-8(2)17-6-9-4-10(13(14,15)16)5-11(18-3)12(9)19-7-17;3*1-8(2)17-6-9-5-10(13(14,15)16)3-4-11(9)12(18)7-17;1-9(2)17-5-6-18-12-4-3-11(13(14,15)16)7-10(12)8-17;1-9(2)17-6-5-10-3-4-12(13(14,15)16)7-11(10)8-17;1-7(2)17-5-8-3-9(12(14,15)16)4-10(13)11(8)18-6-17;1-8(2)17-4-3-11-9(7-17)5-10(6-16-11)12(13,14)15;2*1-8(2)16-6-9-5-10(12(13,14)15)3-4-11(9)17-7-16;1-8(2)16-6-9-3-4-11(12(13,14)15)5-10(9)7-16/h5-6,8H,3-4,7H2,1-2H3;6-7,9H,4-5,8H2,1-3H3;4-6,9,13H,7-8H2,1-3H3;2*4-6,9,19H,7-8H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;4-5,8H,6-7H2,1-3H3;3*3-5,8,12,18H,6-7H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-4,7H,5-6H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-5,8H,6-7H2,1-2H3/t;;;2*13-;;;;2*12-;;;;;;;;/m...10...10......../s1
• InChIKey: ZGHAEHQVJJUCLE-IUJBXGOOSA-N
• XLogP: 60.59
• TPSA: 246.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 326
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4709.84
LogP ≤ 5	60.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?

The IUPAC name of 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 162112080) is 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine.

What is the SMILES notation for 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?

The canonical SMILES for 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine is CC(C)N1CCOc2ccc(C(F)(F)F)cc2C1.CC(C)N1CCc2c(F)cc(C(F)(F)F)cc2C1.CC(C)N1CCc2c(cc(C(F)(F)F)cc2C(F)(F)F)C1.CC(C)N1CCc2ccc(C(F)(F)F)cc2C1.CC(C)N1CCc2ncc(C(F)(F)F)cc2C1.CC(C)N1COc2c(F)cc(C(F)(F)F)cc2C1.CC(C)N1COc2ccc(C(F)(F)F)cc2C1.CC(C)N1COc2ccc(C(F)(F)F)cc2C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2C(F)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2C(O)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2[C@@H](O)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2[C@@](C)(O)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2[C@H](O)C1.CC(C)N1Cc2cc(C(F)(F)F)ccc2[C@](C)(O)C1.CC(C)N1Cc2ccc(C(F)(F)F)cc2C1.COC1CN(C(C)C)Cc2cc(C(F)(F)F)ccc21.COc1cc(C(F)(F)F)cc2c1CCN(C(C)C)C2.COc1cc(C(F)(F)F)cc2c1OCN(C(C)C)C2.

What is the InChIKey of 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?

The InChIKey is ZGHAEHQVJJUCLE-IUJBXGOOSA-N. The full InChI is InChI=1S/C14H15F6N.4C14H18F3NO.2C13H15F4N.C13H16F3NO2.4C13H16F3NO.C13H16F3N.C12H13F4NO.C12H15F3N2.2C12H14F3NO.C12H14F3N/c1-8(2)21-4-3-11-9(7-21)5-10(13(15,16)17)6-12(11)14(18,19)20;1-9(2)18-5-4-12-10(8-18)6-11(14(15,16)17)7-13(12)19-3;1-9(2)18-7-10-6-11(14(15,16)17)4-5-12(10)13(8-18)19-3;2*1-9(2)18-7-10-6-11(14(15,16)17)4-5-12(10)13(3,19)8-18;1-8(2)18-4-3-11-9(7-18)5-10(6-12(11)14)13(15,16)17;1-8(2)18-6-9-5-10(13(15,16)17)3-4-11(9)12(14)7-18;1-8(2)17-6-9-4-10(13(14,15)16)5-11(18-3)12(9)19-7-17;3*1-8(2)17-6-9-5-10(13(14,15)16)3-4-11(9)12(18)7-17;1-9(2)17-5-6-18-12-4-3-11(13(14,15)16)7-10(12)8-17;1-9(2)17-6-5-10-3-4-12(13(14,15)16)7-11(10)8-17;1-7(2)17-5-8-3-9(12(14,15)16)4-10(13)11(8)18-6-17;1-8(2)17-4-3-11-9(7-17)5-10(6-16-11)12(13,14)15;2*1-8(2)16-6-9-5-10(12(13,14)15)3-4-11(9)17-7-16;1-8(2)16-6-9-3-4-11(12(13,14)15)5-10(9)7-16/h5-6,8H,3-4,7H2,1-2H3;6-7,9H,4-5,8H2,1-3H3;4-6,9,13H,7-8H2,1-3H3;2*4-6,9,19H,7-8H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;4-5,8H,6-7H2,1-3H3;3*3-5,8,12,18H,6-7H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-4,7H,5-6H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-5,8H,6-7H2,1-2H3/t;;;2*13-;;;;2*12-;;;;;;;;/m...10...10......../s1.

What are the key properties of 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?

8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 4709.84 g/mol, XLogP of 60.59, 21 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;8-methoxy-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;4-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;(4S)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;(4R)-4-methyl-2-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-ol;2-propan-2-yl-5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-7-(trifluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepine;bis(3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine);2-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4S)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;(4R)-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-4-ol;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 162112080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162112080 — identifiers, structure, computed properties (public domain)

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