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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine

C179H216F45N15O9 — CID 159184920

IUPAC8-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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)N1CCOc2ccc(C(F)(F)F)cc2C1.CC(C)N1CCc2c(F)cc(C(F)(F)F)cc2C1.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@H](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
InChIInChI=1S/2C14H18F3NO.2C13H15F4N.4C13H16F3NO.C13H16F3N.C12H13F4NO.C12H15F3N2.2C12H14F3NO.C12H14F3N/c1-9(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;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;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/h6-7,9H,4-5,8H2,1-3H3;4-6,9,13H,7-8H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;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*12-;;;;;;;;/m....10......../s1
InChIKeyKNJCUDRMCRSZMD-JXJIXMPLSA-N
MW3576.70 g/mol
LogP46.55
Rot. Bonds16

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;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;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;(4R)-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;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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 159184920) has the molecular formula C179H216F45N15O9 and a molecular weight of 3576.70 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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name8-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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID159184920
Molecular FormulaC179H216F45N15O9
Molecular Weight3576.70 g/mol
Exact Mass3574.62
IUPAC Name8-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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)N1CCOc2ccc(C(F)(F)F)cc2C1.CC(C)N1CCc2c(F)cc(C(F)(F)F)cc2C1.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@H](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
InChIInChI=1S/2C14H18F3NO.2C13H15F4N.4C13H16F3NO.C13H16F3N.C12H13F4NO.C12H15F3N2.2C12H14F3NO.C12H14F3N/c1-9(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;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;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/h6-7,9H,4-5,8H2,1-3H3;4-6,9,13H,7-8H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;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*12-;;;;;;;;/m....10......../s1
InChIKeyKNJCUDRMCRSZMD-JXJIXMPLSA-N
XLogP46.55
TPSA174.32 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003576.70
LogP ≤ 546.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine with MolForge

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Launch Full Analysis

Related Compounds

(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol
CID 91593758
6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 157406272
2,4-difluoro-1-propan-2-ylbenzene;6,7-dimethyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;tris(6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline);6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-5-(trifluoromethyl)pyrazine
CID 157710638
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;5-methoxy-2-propan-2-yl-7-(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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 158528949
2-(1,1-Difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline
CID 159653460
8-fluoro-3-propan-2-yl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;5-fluoro-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;5-methoxy-2-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 160910878
CID 161450923
CID 161450923
(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(4-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol
CID 161559932
CID 162058221
CID 162058221
CID 162112080
CID 162112080
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(hydroxymethyl)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(hydroxymethyl)phenyl]phenoxy]propan-2-ol;4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2-fluorophenol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol
CID 161951152
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-ethylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(6-methyl-3-pyridinyl)phenoxy]propan-2-ol;methane
CID 162144118

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;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;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;(4R)-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;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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 159184920) 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;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;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;(4R)-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;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;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;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;(4R)-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;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;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;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;(4R)-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;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)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@H](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.
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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is KNJCUDRMCRSZMD-JXJIXMPLSA-N. The full InChI is InChI=1S/2C14H18F3NO.2C13H15F4N.4C13H16F3NO.C13H16F3N.C12H13F4NO.C12H15F3N2.2C12H14F3NO.C12H14F3N/c1-9(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;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;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/h6-7,9H,4-5,8H2,1-3H3;4-6,9,13H,7-8H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;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*12-;;;;;;;;/m....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;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;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;(4R)-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;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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 3576.70 g/mol, XLogP of 46.55, 16 rotatable bonds, 3 hydrogen bond donors, and 24 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;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;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;(4R)-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;6-propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 159184920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).