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

C100H119F26N9O4 — CID 160910878

IUPAC8-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
SMILESCC(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)N1Cc2ccc(C(F)(F)F)cc2C1.COc1cc(C(F)(F)F)cc2c1CCN(C(C)C)C2
InChIInChI=1S/C14H18F3NO.C13H15F4N.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;1-8(2)18-4-3-11-9(7-18)5-10(6-12(11)14)13(15,16)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;5-6,8H,3-4,7H2,1-2H3;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
InChIKeySQTJHVNUMYTWTR-UHFFFAOYSA-N
MW2005.06 g/mol
LogP26.80
Rot. Bonds9

About 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

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 (PubChem CID 160910878) has the molecular formula C100H119F26N9O4 and a molecular weight of 2005.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID160910878
Molecular FormulaC100H119F26N9O4
Molecular Weight2005.06 g/mol
Exact Mass2003.90
IUPAC Name8-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
SMILESCC(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)N1Cc2ccc(C(F)(F)F)cc2C1.COc1cc(C(F)(F)F)cc2c1CCN(C(C)C)C2
InChIInChI=1S/C14H18F3NO.C13H15F4N.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;1-8(2)18-4-3-11-9(7-18)5-10(6-12(11)14)13(15,16)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;5-6,8H,3-4,7H2,1-2H3;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
InChIKeySQTJHVNUMYTWTR-UHFFFAOYSA-N
XLogP26.80
TPSA75.73 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.06
LogP ≤ 526.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

5,20-bis[(E)-2-(2-methoxy-1-naphthyl)vinyl]-12,13-dimethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457286
5,20-bis[(E)-2-(4-methoxy-1-naphthyl)vinyl]-12,13-dimethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457387
8-Fluoro-4-(3-isocyanobenzene-6-id-1-yl)benzo[f]isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);4-(3-isocyanobenzene-6-id-1-yl)-8-methylbenzo[f]isoquinoline;4-(4-isocyanobenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[f]isoquinoline;8-methoxy-4-phenylbenzo[f]isoquinoline
CID 158144809
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-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;N,N,4-trimethyl-3-(2-methylisoquinolin-2-ium-1-yl)aniline
CID 158562228
3-Tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 158769619
3,8-Bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;3,10-dipyridin-3-yl-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
CID 158970702
cis-(1R,2R)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane;4-(difluoromethoxy)-2-(2-methylpropyl)-1-propan-2-ylbenzene;4-fluoro-2-(2-methylpropyl)-1-propan-2-ylbenzene;4-methoxy-2-(2-methylpropyl)-1-propan-2-ylbenzene;4-methyl-2-(2-methylpropyl)-1-propan-2-ylbenzene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-3-propan-2-ylpyridine;3-(2-methylpropyl)-2-propan-2-ylpyridine;2-(2-methylpropyl)-1-propan-2-yl-4-(trifluoromethoxy)benzene;trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
CID 158986016
1,2-Dimethyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;4-iodo-2-propan-2-ylpyridine;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;8-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 159182232
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
8,13-Bis(3-fluorophenyl)-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracene;8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,10-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,10-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
CID 159260804
1-Tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 159295676

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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)N1Cc2ccc(C(F)(F)F)cc2C1.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;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?
The InChIKey is SQTJHVNUMYTWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO.C13H15F4N.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;1-8(2)18-4-3-11-9(7-18)5-10(6-12(11)14)13(15,16)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;5-6,8H,3-4,7H2,1-2H3;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.
What are the key properties of 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?
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 has a molecular weight of 2005.06 g/mol, XLogP of 26.80, 9 rotatable bonds, 0 hydrogen bond donors, and 13 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;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 is sourced from PubChem (CID 160910878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).