5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene

C17H19FN2 — CID 18992656

IUPAC5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene
SMILESFc1cccc2c1CN1C(=N2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H19FN2/c18-15-2-1-3-16-14(15)9-20-13-7-10-4-11(8-13)6-12(5-10)17(20)19-16/h1-3,10-13H,4-9H2
InChIKeyJBRUHRXXEQJSEA-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.88
Rot. Bonds

About 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene

5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene (PubChem CID 18992656) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene.

Molecular Properties

Compound Name5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene
PubChem CID18992656
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene
SMILESFc1cccc2c1CN1C(=N2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H19FN2/c18-15-2-1-3-16-14(15)9-20-13-7-10-4-11(8-13)6-12(5-10)17(20)19-16/h1-3,10-13H,4-9H2
InChIKeyJBRUHRXXEQJSEA-UHFFFAOYSA-N
XLogP3.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
The IUPAC name of 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene (CID 18992656) is 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene.
What is the SMILES notation for 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
The canonical SMILES for 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene is Fc1cccc2c1CN1C(=N2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
The InChIKey is JBRUHRXXEQJSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-15-2-1-3-16-14(15)9-20-13-7-10-4-11(8-13)6-12(5-10)17(20)19-16/h1-3,10-13H,4-9H2.
What are the key properties of 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene has a molecular weight of 270.35 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene is sourced from PubChem (CID 18992656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).