5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

C18H16F3N — CID 170341204

IUPAC5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESFC(F)(F)c1cccc(-c2ccc3c(c2)C2CC3CCN2)c1
InChIInChI=1S/C18H16F3N/c19-18(20,21)14-3-1-2-11(8-14)12-4-5-15-13-6-7-22-17(10-13)16(15)9-12/h1-5,8-9,13,17,22H,6-7,10H2
InChIKeyDETLFHJJGBIRGR-UHFFFAOYSA-N
MW303.33 g/mol
LogP4.89
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 170341204) has the molecular formula C18H16F3N and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
PubChem CID170341204
Molecular FormulaC18H16F3N
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESFC(F)(F)c1cccc(-c2ccc3c(c2)C2CC3CCN2)c1
InChIInChI=1S/C18H16F3N/c19-18(20,21)14-3-1-2-11(8-14)12-4-5-15-13-6-7-22-17(10-13)16(15)9-12/h1-5,8-9,13,17,22H,6-7,10H2
InChIKeyDETLFHJJGBIRGR-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

Cp-601927
CID 11498153
7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine
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1-(9H-Fluoren-9-yl)piperazine
CID 410205
N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine
CID 56661208
3-Phenyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 9813435
3-(Trifluoromethyl)-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 9838143
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
1-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazine
CID 14208318
(4aS,5R,9bS)-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 44358388

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (CID 170341204) is 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is FC(F)(F)c1cccc(-c2ccc3c(c2)C2CC3CCN2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is DETLFHJJGBIRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N/c19-18(20,21)14-3-1-2-11(8-14)12-4-5-15-13-6-7-22-17(10-13)16(15)9-12/h1-5,8-9,13,17,22H,6-7,10H2.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 303.33 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 170341204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).