(2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C21H16FN — CID 59770481

IUPAC(2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESFc1ccc2c(c1)CCc1ncccc1/C2=C\c1ccccc1
InChIInChI=1S/C21H16FN/c22-17-9-10-18-16(14-17)8-11-21-19(7-4-12-23-21)20(18)13-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2/b20-13-
InChIKeyFNFIBGRJHRACGG-MOSHPQCFSA-N
MW301.36 g/mol
LogP4.91
Rot. Bonds1

About (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

(2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 59770481) has the molecular formula C21H16FN and a molecular weight of 301.36 g/mol. Its IUPAC name is (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name(2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID59770481
Molecular FormulaC21H16FN
Molecular Weight301.36 g/mol
Exact Mass301.13
IUPAC Name(2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESFc1ccc2c(c1)CCc1ncccc1/C2=C\c1ccccc1
InChIInChI=1S/C21H16FN/c22-17-9-10-18-16(14-17)8-11-21-19(7-4-12-23-21)20(18)13-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2/b20-13-
InChIKeyFNFIBGRJHRACGG-MOSHPQCFSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 59770481) is (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is Fc1ccc2c(c1)CCc1ncccc1/C2=C\c1ccccc1.
What is the InChIKey of (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is FNFIBGRJHRACGG-MOSHPQCFSA-N. The full InChI is InChI=1S/C21H16FN/c22-17-9-10-18-16(14-17)8-11-21-19(7-4-12-23-21)20(18)13-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2/b20-13-.
What are the key properties of (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
(2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 301.36 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 59770481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).