12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine

C11H13FN2 — CID 151596062

IUPAC12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine
SMILESNC1=C2CCC(F)C2NC2C=CC=C12
InChIInChI=1S/C11H13FN2/c12-8-5-4-7-10(13)6-2-1-3-9(6)14-11(7)8/h1-3,8-9,11,14H,4-5,13H2
InChIKeyQJMKRMHBTYFRSA-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.17
Rot. Bonds

About 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine

12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine (PubChem CID 151596062) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine.

Molecular Properties

Compound Name12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine
PubChem CID151596062
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine
SMILESNC1=C2CCC(F)C2NC2C=CC=C12
InChIInChI=1S/C11H13FN2/c12-8-5-4-7-10(13)6-2-1-3-9(6)14-11(7)8/h1-3,8-9,11,14H,4-5,13H2
InChIKeyQJMKRMHBTYFRSA-UHFFFAOYSA-N
XLogP1.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine?
The IUPAC name of 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine (CID 151596062) is 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine.
What is the SMILES notation for 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine?
The canonical SMILES for 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine is NC1=C2CCC(F)C2NC2C=CC=C12.
What is the InChIKey of 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine?
The InChIKey is QJMKRMHBTYFRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c12-8-5-4-7-10(13)6-2-1-3-9(6)14-11(7)8/h1-3,8-9,11,14H,4-5,13H2.
What are the key properties of 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine?
12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine has a molecular weight of 192.24 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-4,6,8-trien-8-amine is sourced from PubChem (CID 151596062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).