5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene

C12H13F2N — CID 142243520

IUPAC5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene
SMILESC=C1C2=CC=CCC=C2NCCC1(F)F
InChIInChI=1S/C12H13F2N/c1-9-10-5-3-2-4-6-11(10)15-8-7-12(9,13)14/h2-3,5-6,15H,1,4,7-8H2
InChIKeyNHAYXRUJFYAXLW-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.94
Rot. Bonds

About 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene

5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene (PubChem CID 142243520) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene.

Molecular Properties

Compound Name5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene
PubChem CID142243520
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene
SMILESC=C1C2=CC=CCC=C2NCCC1(F)F
InChIInChI=1S/C12H13F2N/c1-9-10-5-3-2-4-6-11(10)15-8-7-12(9,13)14/h2-3,5-6,15H,1,4,7-8H2
InChIKeyNHAYXRUJFYAXLW-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene?
The IUPAC name of 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene (CID 142243520) is 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene.
What is the SMILES notation for 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene?
The canonical SMILES for 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene is C=C1C2=CC=CCC=C2NCCC1(F)F.
What is the InChIKey of 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene?
The InChIKey is NHAYXRUJFYAXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N/c1-9-10-5-3-2-4-6-11(10)15-8-7-12(9,13)14/h2-3,5-6,15H,1,4,7-8H2.
What are the key properties of 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene?
5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene has a molecular weight of 209.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene is sourced from PubChem (CID 142243520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).