1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)

C76H65F18N3O7 — CID 157149690

IUPAC1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)
SMILESCOc1cccc(C2CCc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2CC(O)C(F)(F)F)c1.OC(CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CCC1c1ccccc1)C(F)(F)F.OC(CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CCC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H23F6NO3.2C25H21F6NO2/c1-35-18-7-3-6-17(14-18)22-12-11-21-20(16-5-2-8-19(13-16)36-26(30,31)32)9-4-10-23(21)33(22)15-24(34)25(27,28)29;2*26-24(27,28)23(33)15-32-21(16-6-2-1-3-7-16)13-12-20-19(10-5-11-22(20)32)17-8-4-9-18(14-17)34-25(29,30)31/h2-10,13-14,22,24,34H,11-12,15H2,1H3;2*1-11,14,21,23,33H,12-13,15H2
InChIKeyALCOSDJFLRRKIJ-UHFFFAOYSA-N
MW1474.33 g/mol
LogP20.02
Rot. Bonds16

About 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)

1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol) (PubChem CID 157149690) has the molecular formula C76H65F18N3O7 and a molecular weight of 1474.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol).

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)
PubChem CID157149690
Molecular FormulaC76H65F18N3O7
Molecular Weight1474.33 g/mol
Exact Mass1473.45
IUPAC Name1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)
SMILESCOc1cccc(C2CCc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2CC(O)C(F)(F)F)c1.OC(CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CCC1c1ccccc1)C(F)(F)F.OC(CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CCC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H23F6NO3.2C25H21F6NO2/c1-35-18-7-3-6-17(14-18)22-12-11-21-20(16-5-2-8-19(13-16)36-26(30,31)32)9-4-10-23(21)33(22)15-24(34)25(27,28)29;2*26-24(27,28)23(33)15-32-21(16-6-2-1-3-7-16)13-12-20-19(10-5-11-22(20)32)17-8-4-9-18(14-17)34-25(29,30)31/h2-10,13-14,22,24,34H,11-12,15H2,1H3;2*1-11,14,21,23,33H,12-13,15H2
InChIKeyALCOSDJFLRRKIJ-UHFFFAOYSA-N
XLogP20.02
TPSA107.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001474.33
LogP ≤ 520.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol) with MolForge

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Related Compounds

Tetrahydroquinoline A
CID 44591717
(2R,alphaS)-3,4-Dihydro-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)-phenyl]-alpha-(trifluoromethyl)-1(2H)-quinolineethanol
CID 17754439
1(2H)-Quinolineethanol, 3,4-dihydro-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-a-(trifluoromethyl)-, (aS,2R)-
CID 24774836
1,1,1-trifluoro-3-(2-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-5-(4-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol
CID 24774923
3-(2-(3-(1,1,2,2-Tetrafluoroethoxy)phenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-5-yl)benzonitrile
CID 24774924
1,1,1-trifluoro-3-(5-(3-fluorophenyl)-2-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol
CID 24774925
3-(5-(3-chlorophenyl)-2-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)-1,1,1-trifluoropropan-2-ol
CID 24774926
1,1,1-trifluoro-3-(5-(3-(trifluoromethoxy)phenyl)-2-(3-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol
CID 24774927
3-(2,5-bis(3-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)-1,1,1-trifluoropropan-2-ol
CID 24775099
1-(2,5-bis(3-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbutan-2-ol
CID 24775283
1-(2,5-bis(3-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)-3-chloropropan-2-ol
CID 24775284
1-(2,5-bis(3-(trifluoromethoxy)phenyl)-3,4-dihydro quinolin-1(2H)-yl)-3-fluoropropan-2-ol
CID 24775285

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)?
The IUPAC name of 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol) (CID 157149690) is 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol).
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol) is COc1cccc(C2CCc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2CC(O)C(F)(F)F)c1.OC(CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CCC1c1ccccc1)C(F)(F)F.OC(CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CCC1c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)?
The InChIKey is ALCOSDJFLRRKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F6NO3.2C25H21F6NO2/c1-35-18-7-3-6-17(14-18)22-12-11-21-20(16-5-2-8-19(13-16)36-26(30,31)32)9-4-10-23(21)33(22)15-24(34)25(27,28)29;2*26-24(27,28)23(33)15-32-21(16-6-2-1-3-7-16)13-12-20-19(10-5-11-22(20)32)17-8-4-9-18(14-17)34-25(29,30)31/h2-10,13-14,22,24,34H,11-12,15H2,1H3;2*1-11,14,21,23,33H,12-13,15H2.
What are the key properties of 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol)?
1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol) has a molecular weight of 1474.33 g/mol, XLogP of 20.02, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;bis(1,1,1-trifluoro-3-[2-phenyl-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol) is sourced from PubChem (CID 157149690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).