(1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C10H11FN2 — CID 168862403

IUPAC(1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESFc1cncc2c1C[C@@H]1CC[C@H]2N1
InChIInChI=1S/C10H11FN2/c11-9-5-12-4-8-7(9)3-6-1-2-10(8)13-6/h4-6,10,13H,1-3H2/t6-,10+/m0/s1
InChIKeyVQXBHTOOXHLRIJ-QUBYGPBYSA-N
MW178.21 g/mol
LogP1.57
Rot. Bonds

About (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

(1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 168862403) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID168862403
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name(1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESFc1cncc2c1C[C@@H]1CC[C@H]2N1
InChIInChI=1S/C10H11FN2/c11-9-5-12-4-8-7(9)3-6-1-2-10(8)13-6/h4-6,10,13H,1-3H2/t6-,10+/m0/s1
InChIKeyVQXBHTOOXHLRIJ-QUBYGPBYSA-N
XLogP1.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 168862403) is (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is Fc1cncc2c1C[C@@H]1CC[C@H]2N1.
What is the InChIKey of (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is VQXBHTOOXHLRIJ-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-9-5-12-4-8-7(9)3-6-1-2-10(8)13-6/h4-6,10,13H,1-3H2/t6-,10+/m0/s1.
What are the key properties of (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
(1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 178.21 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 168862403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).