6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C12H14FN — CID 10176482

IUPAC6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESFc1cccc2c1CC1CNCC2C1
InChIInChI=1S/C12H14FN/c13-12-3-1-2-10-9-4-8(5-11(10)12)6-14-7-9/h1-3,8-9,14H,4-7H2
InChIKeyLUECZUZBDUKVMO-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.07
Rot. Bonds

About 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 10176482) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID10176482
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESFc1cccc2c1CC1CNCC2C1
InChIInChI=1S/C12H14FN/c13-12-3-1-2-10-9-4-8(5-11(10)12)6-14-7-9/h1-3,8-9,14H,4-7H2
InChIKeyLUECZUZBDUKVMO-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 10176482) is 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is Fc1cccc2c1CC1CNCC2C1.
What is the InChIKey of 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is LUECZUZBDUKVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-12-3-1-2-10-9-4-8(5-11(10)12)6-14-7-9/h1-3,8-9,14H,4-7H2.
What are the key properties of 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 191.25 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 10176482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).