9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

C23H24F3N — CID 123521021

IUPAC9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)C2CC3CCN2C2CCCC2)cc1
InChIInChI=1S/C23H24F3N/c24-23(25,26)18-8-5-15(6-9-18)16-7-10-20-17-11-12-27(19-3-1-2-4-19)22(14-17)21(20)13-16/h5-10,13,17,19,22H,1-4,11-12,14H2
InChIKeyGXWCXSDDKPPYAJ-UHFFFAOYSA-N
MW371.45 g/mol
LogP6.55
Rot. Bonds2

About 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 123521021) has the molecular formula C23H24F3N and a molecular weight of 371.45 g/mol. Its IUPAC name is 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
PubChem CID123521021
Molecular FormulaC23H24F3N
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)C2CC3CCN2C2CCCC2)cc1
InChIInChI=1S/C23H24F3N/c24-23(25,26)18-8-5-15(6-9-18)16-7-10-20-17-11-12-27(19-3-1-2-4-19)22(14-17)21(20)13-16/h5-10,13,17,19,22H,1-4,11-12,14H2
InChIKeyGXWCXSDDKPPYAJ-UHFFFAOYSA-N
XLogP6.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.45
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (CID 123521021) is 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is FC(F)(F)c1ccc(-c2ccc3c(c2)C2CC3CCN2C2CCCC2)cc1.
What is the InChIKey of 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is GXWCXSDDKPPYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N/c24-23(25,26)18-8-5-15(6-9-18)16-7-10-20-17-11-12-27(19-3-1-2-4-19)22(14-17)21(20)13-16/h5-10,13,17,19,22H,1-4,11-12,14H2.
What are the key properties of 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 371.45 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 123521021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).