2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene

C14H14BF5N2 — CID 162569016

IUPAC2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
SMILESCC1=CC(C)=[N+]2C1=C(C(F)(F)F)c1c(C)cc(C)n1[B-]2(F)F
InChIInChI=1S/C14H14BF5N2/c1-7-5-9(3)21-12(7)11(14(16,17)18)13-8(2)6-10(4)22(13)15(21,19)20/h5-6H,1-4H3
InChIKeyYNKHRSVZMYGURN-UHFFFAOYSA-N
MW316.08 g/mol
LogP4.05
Rot. Bonds

About 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene

2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene (PubChem CID 162569016) has the molecular formula C14H14BF5N2 and a molecular weight of 316.08 g/mol. Its IUPAC name is 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene.

Molecular Properties

Compound Name2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
PubChem CID162569016
Molecular FormulaC14H14BF5N2
Molecular Weight316.08 g/mol
Exact Mass316.12
IUPAC Name2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
SMILESCC1=CC(C)=[N+]2C1=C(C(F)(F)F)c1c(C)cc(C)n1[B-]2(F)F
InChIInChI=1S/C14H14BF5N2/c1-7-5-9(3)21-12(7)11(14(16,17)18)13-8(2)6-10(4)22(13)15(21,19)20/h5-6H,1-4H3
InChIKeyYNKHRSVZMYGURN-UHFFFAOYSA-N
XLogP4.05
TPSA7.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.08
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene?
The IUPAC name of 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene (CID 162569016) is 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene.
What is the SMILES notation for 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene?
The canonical SMILES for 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene is CC1=CC(C)=[N+]2C1=C(C(F)(F)F)c1c(C)cc(C)n1[B-]2(F)F.
What is the InChIKey of 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene?
The InChIKey is YNKHRSVZMYGURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BF5N2/c1-7-5-9(3)21-12(7)11(14(16,17)18)13-8(2)6-10(4)22(13)15(21,19)20/h5-6H,1-4H3.
What are the key properties of 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene?
2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene has a molecular weight of 316.08 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,6,10,12-tetramethyl-8-(trifluoromethyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene is sourced from PubChem (CID 162569016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).