9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene

C23H26FN — CID 170597744

IUPAC9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
SMILESFc1ccc(-c2ccc3c(c2)C2CC3CCCN2C2CCCC2)cc1
InChIInChI=1S/C23H26FN/c24-19-10-7-16(8-11-19)17-9-12-21-18-4-3-13-25(20-5-1-2-6-20)23(15-18)22(21)14-17/h7-12,14,18,20,23H,1-6,13,15H2
InChIKeyIAFPTGQLESNABD-UHFFFAOYSA-N
MW335.47 g/mol
LogP6.06
Rot. Bonds2

About 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene

9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene (PubChem CID 170597744) has the molecular formula C23H26FN and a molecular weight of 335.47 g/mol. Its IUPAC name is 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
PubChem CID170597744
Molecular FormulaC23H26FN
Molecular Weight335.47 g/mol
Exact Mass335.20
IUPAC Name9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
SMILESFc1ccc(-c2ccc3c(c2)C2CC3CCCN2C2CCCC2)cc1
InChIInChI=1S/C23H26FN/c24-19-10-7-16(8-11-19)17-9-12-21-18-4-3-13-25(20-5-1-2-6-20)23(15-18)22(21)14-17/h7-12,14,18,20,23H,1-6,13,15H2
InChIKeyIAFPTGQLESNABD-UHFFFAOYSA-N
XLogP6.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene with MolForge

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Related Compounds

4-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10641744
5-(4-Fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 44825837
3-[5-[4-(Trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-9-yl]propan-1-ol
CID 123841550
[3-(3,4-Difluoro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543785
[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543854
1-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-4-methyl-piperazine
CID 44358128
3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260254
6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260285
3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260301
3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260356
3-(9H-fluoren-9-yl)-3-azabicyclo[3.2.2]nonane
CID 259264
9-Methyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 44825872

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene (CID 170597744) is 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene is Fc1ccc(-c2ccc3c(c2)C2CC3CCCN2C2CCCC2)cc1.
What is the InChIKey of 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is IAFPTGQLESNABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN/c24-19-10-7-16(8-11-19)17-9-12-21-18-4-3-13-25(20-5-1-2-6-20)23(15-18)22(21)14-17/h7-12,14,18,20,23H,1-6,13,15H2.
What are the key properties of 9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
9-cyclopentyl-5-(4-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 335.47 g/mol, XLogP of 6.06, 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-fluorophenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 170597744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).