8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene

C12H6F3N — CID 173310828

IUPAC8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene
SMILESFC(F)(F)c1cc2ccc1-c1ccc-2cn1
InChIInChI=1S/C12H6F3N/c13-12(14,15)10-5-7-1-3-9(10)11-4-2-8(7)6-16-11/h1-6H/b8-7-,11-9-
InChIKeyYORFWKOHCKNTIC-JCBKOVKPSA-N
MW221.18 g/mol
LogP3.75
Rot. Bonds

About 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene

8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene (PubChem CID 173310828) has the molecular formula C12H6F3N and a molecular weight of 221.18 g/mol. Its IUPAC name is 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene
PubChem CID173310828
Molecular FormulaC12H6F3N
Molecular Weight221.18 g/mol
Exact Mass221.05
IUPAC Name8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene
SMILESFC(F)(F)c1cc2ccc1-c1ccc-2cn1
InChIInChI=1S/C12H6F3N/c13-12(14,15)10-5-7-1-3-9(10)11-4-2-8(7)6-16-11/h1-6H/b8-7-,11-9-
InChIKeyYORFWKOHCKNTIC-JCBKOVKPSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene?
The IUPAC name of 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene (CID 173310828) is 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene.
What is the SMILES notation for 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene?
The canonical SMILES for 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene is FC(F)(F)c1cc2ccc1-c1ccc-2cn1.
What is the InChIKey of 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene?
The InChIKey is YORFWKOHCKNTIC-JCBKOVKPSA-N. The full InChI is InChI=1S/C12H6F3N/c13-12(14,15)10-5-7-1-3-9(10)11-4-2-8(7)6-16-11/h1-6H/b8-7-,11-9-.
What are the key properties of 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene?
8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene has a molecular weight of 221.18 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene is sourced from PubChem (CID 173310828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).