14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene

C15H12FN — CID 174029634

IUPAC14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
SMILESFc1ccc2c(c1)CCc1cccnc1C=C2
InChIInChI=1S/C15H12FN/c16-14-7-5-11-6-8-15-12(2-1-9-17-15)3-4-13(11)10-14/h1-2,5-10H,3-4H2
InChIKeyFWKZLHGHUIKMBJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP3.49
Rot. Bonds

About 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene

14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene (PubChem CID 174029634) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene.

Molecular Properties

Compound Name14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
PubChem CID174029634
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
SMILESFc1ccc2c(c1)CCc1cccnc1C=C2
InChIInChI=1S/C15H12FN/c16-14-7-5-11-6-8-15-12(2-1-9-17-15)3-4-13(11)10-14/h1-2,5-10H,3-4H2
InChIKeyFWKZLHGHUIKMBJ-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene?
The IUPAC name of 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene (CID 174029634) is 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene.
What is the SMILES notation for 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene?
The canonical SMILES for 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene is Fc1ccc2c(c1)CCc1cccnc1C=C2.
What is the InChIKey of 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene?
The InChIKey is FWKZLHGHUIKMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN/c16-14-7-5-11-6-8-15-12(2-1-9-17-15)3-4-13(11)10-14/h1-2,5-10H,3-4H2.
What are the key properties of 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene?
14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene has a molecular weight of 225.27 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene is sourced from PubChem (CID 174029634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).