9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

C16H14FN — CID 19848666

IUPAC9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
SMILESCC12NC(F)(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C16H14FN/c1-15-12-7-3-2-6-11(12)10-16(17,18-15)14-9-5-4-8-13(14)15/h2-9,18H,10H2,1H3
InChIKeyQWQKTSIJXLQBCC-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.23
Rot. Bonds

About 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene (PubChem CID 19848666) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
PubChem CID19848666
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
SMILESCC12NC(F)(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C16H14FN/c1-15-12-7-3-2-6-11(12)10-16(17,18-15)14-9-5-4-8-13(14)15/h2-9,18H,10H2,1H3
InChIKeyQWQKTSIJXLQBCC-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
The IUPAC name of 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene (CID 19848666) is 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene.
What is the SMILES notation for 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
The canonical SMILES for 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene is CC12NC(F)(Cc3ccccc31)c1ccccc12.
What is the InChIKey of 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
The InChIKey is QWQKTSIJXLQBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-15-12-7-3-2-6-11(12)10-16(17,18-15)14-9-5-4-8-13(14)15/h2-9,18H,10H2,1H3.
What are the key properties of 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene has a molecular weight of 239.29 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene is sourced from PubChem (CID 19848666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).