About CID 156620908
CID 156620908 (PubChem CID 156620908) has the molecular formula C16H38FN
and a molecular weight of 263.49 g/mol.
Molecular Properties
| Compound Name | CID 156620908 |
|---|
| PubChem CID | 156620908 |
|---|
| Molecular Formula | C16H38FN |
|---|
| Molecular Weight | 263.49 g/mol |
|---|
| Exact Mass | 263.30 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CC#CC#CC#CC#CC#CC#CC#CC.NF.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H] |
|---|
| InChI | InChI=1S/C16H6.FH2N.15H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2;;;;;;;;;;;;;;;/h1-2H3;2H2;15*1H |
|---|
| InChIKey | SREHRSXBJIKNFG-UHFFFAOYSA-N |
|---|
| XLogP | 4.57 |
|---|
| TPSA | 26.02 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 18 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 263.49 |
| LogP ≤ 5 | 4.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze CID 156620908 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 CID 156620908?
The IUPAC name of CID 156620908 (CID 156620908) is not available.
What is the SMILES notation for CID 156620908?
The canonical SMILES for CID 156620908 is CC#CC#CC#CC#CC#CC#CC#CC.NF.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of CID 156620908?
The InChIKey is SREHRSXBJIKNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6.FH2N.15H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2;;;;;;;;;;;;;;;/h1-2H3;2H2;15*1H.
What are the key properties of CID 156620908?
CID 156620908 has a molecular weight of 263.49 g/mol, XLogP of 4.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156620908 is sourced from PubChem (CID 156620908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).