(1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

C19H18F3N — CID 162370613

IUPAC(1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESCN1CC[C@@H]2C[C@@H]1c1cc(-c3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C19H18F3N/c1-23-9-8-14-11-18(23)17-10-13(4-7-16(14)17)12-2-5-15(6-3-12)19(20,21)22/h2-7,10,14,18H,8-9,11H2,1H3/t14-,18-/m1/s1
InChIKeyVQJOLAVGGLHBJE-RDTXWAMCSA-N
MW317.35 g/mol
LogP5.24
Rot. Bonds1

About (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

(1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 162370613) has the molecular formula C19H18F3N and a molecular weight of 317.35 g/mol. Its IUPAC name is (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
PubChem CID162370613
Molecular FormulaC19H18F3N
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESCN1CC[C@@H]2C[C@@H]1c1cc(-c3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C19H18F3N/c1-23-9-8-14-11-18(23)17-10-13(4-7-16(14)17)12-2-5-15(6-3-12)19(20,21)22/h2-7,10,14,18H,8-9,11H2,1H3/t14-,18-/m1/s1
InChIKeyVQJOLAVGGLHBJE-RDTXWAMCSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimefadane
CID 21760
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-alpha,9b-alpha)-
CID 55875
4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10246528
1,2,2-Trimethyl-4-(3-phenyl-indan-1-yl)-piperazine
CID 10567738
4-[7-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10570260
1-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-3,3-dimethyl-piperazine
CID 10617001
4-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10641744
1-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-yl]-3,3-dimethyl-piperazine
CID 10810514
4-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10835172

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (CID 162370613) is (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is CN1CC[C@@H]2C[C@@H]1c1cc(-c3ccc(C(F)(F)F)cc3)ccc12.
What is the InChIKey of (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is VQJOLAVGGLHBJE-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H18F3N/c1-23-9-8-14-11-18(23)17-10-13(4-7-16(14)17)12-2-5-15(6-3-12)19(20,21)22/h2-7,10,14,18H,8-9,11H2,1H3/t14-,18-/m1/s1.
What are the key properties of (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
(1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 317.35 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-9-methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 162370613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).