(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline

C22H18F3N — CID 92953927

IUPAC(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)(F)c1cccc(N2CCc3ccccc3[C@H]2c2ccccc2)c1
InChIInChI=1S/C22H18F3N/c23-22(24,25)18-10-6-11-19(15-18)26-14-13-16-7-4-5-12-20(16)21(26)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2/t21-/m1/s1
InChIKeyMERSLHVVBXWHTM-OAQYLSRUSA-N
MW353.39 g/mol
LogP5.86
Rot. Bonds2

About (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline

(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 92953927) has the molecular formula C22H18F3N and a molecular weight of 353.39 g/mol. Its IUPAC name is (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
PubChem CID92953927
Molecular FormulaC22H18F3N
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)(F)c1cccc(N2CCc3ccccc3[C@H]2c2ccccc2)c1
InChIInChI=1S/C22H18F3N/c23-22(24,25)18-10-6-11-19(15-18)26-14-13-16-7-4-5-12-20(16)21(26)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2/t21-/m1/s1
InChIKeyMERSLHVVBXWHTM-OAQYLSRUSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 69474792
(1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59536396
1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone
CID 102390710
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-isoquinoline
CID 102418039
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one
CID 79396754
1-(3-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 13467513
6-methoxy-2-phenyl-1-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-isoquinoline
CID 18172420
1-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 102390709
4-oxo-4-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 129384283
(1R,7R,8R)-8-phenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91322438
(2S)-1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166010560

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline (CID 92953927) is (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline is FC(F)(F)c1cccc(N2CCc3ccccc3[C@H]2c2ccccc2)c1.
What is the InChIKey of (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is MERSLHVVBXWHTM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18F3N/c23-22(24,25)18-10-6-11-19(15-18)26-14-13-16-7-4-5-12-20(16)21(26)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2/t21-/m1/s1.
What are the key properties of (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 353.39 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 92953927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).