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

C11H15F2N3O — CID 175201591

IUPAC14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol
SMILESOC1CCn2nc3c(c2C(F)(F)C1)CNCC3
InChIInChI=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
InChIKeyXVAFKTXMNSOZMG-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.78
Rot. Bonds

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

14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol (PubChem CID 175201591) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol.

Molecular Properties

Compound Name14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol
PubChem CID175201591
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol
SMILESOC1CCn2nc3c(c2C(F)(F)C1)CNCC3
InChIInChI=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
InChIKeyXVAFKTXMNSOZMG-UHFFFAOYSA-N
XLogP0.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol 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 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol?
The IUPAC name of 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol (CID 175201591) is 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol.
What is the SMILES notation for 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol?
The canonical SMILES for 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol is OC1CCn2nc3c(c2C(F)(F)C1)CNCC3.
What is the InChIKey of 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol?
The InChIKey is XVAFKTXMNSOZMG-UHFFFAOYSA-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.
What are the key properties of 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol?
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 14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol is sourced from PubChem (CID 175201591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).