(4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

C13H15F3N2 — CID 134279554

About (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

(4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (PubChem CID 134279554) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

Molecular Properties

• Compound Name: (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
• PubChem CID: 134279554
• Molecular Formula: C13H15F3N2
• Molecular Weight: 256.27 g/mol
• Exact Mass: 256.12
• IUPAC Name: (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
• SMILES: FC(F)(F)[C@@H]1C=CN2CCNCC3=CCCC1=C32
• InChI: InChI=1S/C13H15F3N2/c14-13(15,16)11-4-6-18-7-5-17-8-9-2-1-3-10(11)12(9)18/h2,4,6,11,17H,1,3,5,7-8H2/t11-/m1/s1
• InChIKey: YWPHFCBSVHVNGO-LLVKDONJSA-N
• XLogP: 2.57
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.27
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?

The IUPAC name of (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (CID 134279554) is (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

What is the SMILES notation for (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?

The canonical SMILES for (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is FC(F)(F)[C@@H]1C=CN2CCNCC3=CCCC1=C32.

What is the InChIKey of (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?

The InChIKey is YWPHFCBSVHVNGO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15F3N2/c14-13(15,16)11-4-6-18-7-5-17-8-9-2-1-3-10(11)12(9)18/h2,4,6,11,17H,1,3,5,7-8H2/t11-/m1/s1.

What are the key properties of (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?

(4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene has a molecular weight of 256.27 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is sourced from PubChem (CID 134279554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).