12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene

C22H30FN — CID 24869474

IUPAC12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene
SMILESFC1CCCCC1C1NC2=C(C3=C(CCCC3)CC2)C2C=CCC21
InChIInChI=1S/C22H30FN/c23-19-11-4-3-8-18(19)22-17-10-5-9-16(17)21-15-7-2-1-6-14(15)12-13-20(21)24-22/h5,9,16-19,22,24H,1-4,6-8,10-13H2
InChIKeyJLKMCHAEVJIQBN-UHFFFAOYSA-N
MW327.49 g/mol
LogP5.60
Rot. Bonds1

About 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene

12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene (PubChem CID 24869474) has the molecular formula C22H30FN and a molecular weight of 327.49 g/mol. Its IUPAC name is 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene.

Molecular Properties

Compound Name12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene
PubChem CID24869474
Molecular FormulaC22H30FN
Molecular Weight327.49 g/mol
Exact Mass327.24
IUPAC Name12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene
SMILESFC1CCCCC1C1NC2=C(C3=C(CCCC3)CC2)C2C=CCC21
InChIInChI=1S/C22H30FN/c23-19-11-4-3-8-18(19)22-17-10-5-9-16(17)21-15-7-2-1-6-14(15)12-13-20(21)24-22/h5,9,16-19,22,24H,1-4,6-8,10-13H2
InChIKeyJLKMCHAEVJIQBN-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene?
The IUPAC name of 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene (CID 24869474) is 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene.
What is the SMILES notation for 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene?
The canonical SMILES for 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene is FC1CCCCC1C1NC2=C(C3=C(CCCC3)CC2)C2C=CCC21.
What is the InChIKey of 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene?
The InChIKey is JLKMCHAEVJIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN/c23-19-11-4-3-8-18(19)22-17-10-5-9-16(17)21-15-7-2-1-6-14(15)12-13-20(21)24-22/h5,9,16-19,22,24H,1-4,6-8,10-13H2.
What are the key properties of 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene?
12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene has a molecular weight of 327.49 g/mol, XLogP of 5.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-fluorocyclohexyl)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),15-triene is sourced from PubChem (CID 24869474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).