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

C12H14FN — CID 19861520

IUPAC7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESFc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C12H14FN/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2
InChIKeyWDQDMTXOYZBINP-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.52
Rot. Bonds

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

7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 19861520) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID19861520
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESFc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C12H14FN/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2
InChIKeyWDQDMTXOYZBINP-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 7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 19861520) is 7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is Fc1cc2c3c(c1)CCCN3CCC2.
What is the InChIKey of 7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is WDQDMTXOYZBINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2.
What are the key properties of 7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
7-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 7-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 19861520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).