6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C12H14FN — CID 138981773

IUPAC6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESFc1ccc2c3c1CCCN3CCC2
InChIInChI=1S/C12H14FN/c13-11-6-5-9-3-1-7-14-8-2-4-10(11)12(9)14/h5-6H,1-4,7-8H2
InChIKeyALOJQSHROFLPIK-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.52
Rot. Bonds

About 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 138981773) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID138981773
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESFc1ccc2c3c1CCCN3CCC2
InChIInChI=1S/C12H14FN/c13-11-6-5-9-3-1-7-14-8-2-4-10(11)12(9)14/h5-6H,1-4,7-8H2
InChIKeyALOJQSHROFLPIK-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 138981773) is 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is Fc1ccc2c3c1CCCN3CCC2.
What is the InChIKey of 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is ALOJQSHROFLPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-6-5-9-3-1-7-14-8-2-4-10(11)12(9)14/h5-6H,1-4,7-8H2.
What are the key properties of 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 191.25 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 138981773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).