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

C17H19FN2 — CID 18992331

IUPAC7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene
SMILESFc1ccc2c(c1)N=C1C3CC4CC(C3)CC(C4)N1C2
InChIInChI=1S/C17H19FN2/c18-14-2-1-12-9-20-15-6-10-3-11(7-15)5-13(4-10)17(20)19-16(12)8-14/h1-2,8,10-11,13,15H,3-7,9H2
InChIKeyBZXUKCDGOOFBRE-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.88
Rot. Bonds

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

7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene (PubChem CID 18992331) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene.

Molecular Properties

Compound Name7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene
PubChem CID18992331
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene
SMILESFc1ccc2c(c1)N=C1C3CC4CC(C3)CC(C4)N1C2
InChIInChI=1S/C17H19FN2/c18-14-2-1-12-9-20-15-6-10-3-11(7-15)5-13(4-10)17(20)19-16(12)8-14/h1-2,8,10-11,13,15H,3-7,9H2
InChIKeyBZXUKCDGOOFBRE-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 7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
The IUPAC name of 7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene (CID 18992331) is 7-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 7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
The canonical SMILES for 7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene is Fc1ccc2c(c1)N=C1C3CC4CC(C3)CC(C4)N1C2.
What is the InChIKey of 7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
The InChIKey is BZXUKCDGOOFBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-14-2-1-12-9-20-15-6-10-3-11(7-15)5-13(4-10)17(20)19-16(12)8-14/h1-2,8,10-11,13,15H,3-7,9H2.
What are the key properties of 7-fluoro-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
7-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 7-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 18992331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).