7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

C13H16FN — CID 19861528

IUPAC7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCc1c(F)cc2c3c1CCCN3CCC2
InChIInChI=1S/C13H16FN/c1-9-11-5-3-7-15-6-2-4-10(13(11)15)8-12(9)14/h8H,2-7H2,1H3
InChIKeyLOBIUHPKWUMNNZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.83
Rot. Bonds

About 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (PubChem CID 19861528) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.

Molecular Properties

Compound Name7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
PubChem CID19861528
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCc1c(F)cc2c3c1CCCN3CCC2
InChIInChI=1S/C13H16FN/c1-9-11-5-3-7-15-6-2-4-10(13(11)15)8-12(9)14/h8H,2-7H2,1H3
InChIKeyLOBIUHPKWUMNNZ-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Julolidine
CID 68069
1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-methyl-
CID 377622
2,4,7,8-Tetramethyl-1,2,3,4-tetrahydroquinoline hydrochloride
CID 6602717
2,4,7,8-Tetramethyl-1,2,3,4-tetrahydroquinoline
CID 661124
1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-methyl-, hydrochloride
CID 377621
1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-8-methyl-, hydrochloride
CID 3063560
Julolidine hydrobromide
CID 12255670
1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-(N,N-diethylamino)-, dihydrochloride
CID 3063557
Ethylamine, N-methyl-N-(2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)-, dihydrochloride
CID 3063684
5-methyl-6H-benzo[c]phenanthridine
CID 132533631
7-Fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 19861520
2,2,4-Trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 58908137

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The IUPAC name of 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (CID 19861528) is 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.
What is the SMILES notation for 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The canonical SMILES for 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is Cc1c(F)cc2c3c1CCCN3CCC2.
What is the InChIKey of 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The InChIKey is LOBIUHPKWUMNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-9-11-5-3-7-15-6-2-4-10(13(11)15)8-12(9)14/h8H,2-7H2,1H3.
What are the key properties of 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene has a molecular weight of 205.28 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is sourced from PubChem (CID 19861528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).