8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C22H20FN — CID 51360689

IUPAC8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(/C=C/c3ccc(F)cc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C22H20FN/c1-24-11-10-19-16(5-2-14-3-8-18(23)9-4-14)13-20-15-6-7-17(12-15)21(20)22(19)24/h2-5,8-11,13,15,17H,6-7,12H2,1H3/b5-2+
InChIKeyYEVICUCJJCDJDT-GORDUTHDSA-N
MW317.41 g/mol
LogP5.85
Rot. Bonds2

About 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360689) has the molecular formula C22H20FN and a molecular weight of 317.41 g/mol. Its IUPAC name is 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360689
Molecular FormulaC22H20FN
Molecular Weight317.41 g/mol
Exact Mass317.16
IUPAC Name8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(/C=C/c3ccc(F)cc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C22H20FN/c1-24-11-10-19-16(5-2-14-3-8-18(23)9-4-14)13-20-15-6-7-17(12-15)21(20)22(19)24/h2-5,8-11,13,15,17H,6-7,12H2,1H3/b5-2+
InChIKeyYEVICUCJJCDJDT-GORDUTHDSA-N
XLogP5.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.85
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 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360689) is 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(/C=C/c3ccc(F)cc3)cc3c(c21)C1CCC3C1.
What is the InChIKey of 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is YEVICUCJJCDJDT-GORDUTHDSA-N. The full InChI is InChI=1S/C22H20FN/c1-24-11-10-19-16(5-2-14-3-8-18(23)9-4-14)13-20-15-6-7-17(12-15)21(20)22(19)24/h2-5,8-11,13,15,17H,6-7,12H2,1H3/b5-2+.
What are the key properties of 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 317.41 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).