(12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol

C11H15F2N3O — CID 155341363

About (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol

(12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol (PubChem CID 155341363) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol.

Molecular Properties

• Compound Name: (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol
• PubChem CID: 155341363
• Molecular Formula: C11H15F2N3O
• Molecular Weight: 243.26 g/mol
• Exact Mass: 243.12
• IUPAC Name: (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol
• SMILES: O[C@@H]1CCn2nc3c(c2C(F)(F)C1)CNCC3
• InChI: InChI=1S/C11H15F2N3O/c12-11(13)5-7(17)2-4-16-10(11)8-6-14-3-1-9(8)15-16/h7,14,17H,1-6H2/t7-/m1/s1
• InChIKey: XVAFKTXMNSOZMG-SSDOTTSWSA-N
• XLogP: 0.78
• TPSA: 50.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.26
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol?

The IUPAC name of (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol (CID 155341363) is (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol.

What is the SMILES notation for (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol?

The canonical SMILES for (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol is O[C@@H]1CCn2nc3c(c2C(F)(F)C1)CNCC3.

What is the InChIKey of (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol?

The InChIKey is XVAFKTXMNSOZMG-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-11(13)5-7(17)2-4-16-10(11)8-6-14-3-1-9(8)15-16/h7,14,17H,1-6H2/t7-/m1/s1.

What are the key properties of (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol?

(12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol has a molecular weight of 243.26 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (12R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol is sourced from PubChem (CID 155341363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).