About 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine
1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine (PubChem CID 169385880) has the molecular formula C17H17F3N2
and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine.
Molecular Properties
| Compound Name | 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine |
| PubChem CID | 169385880 |
| Molecular Formula | C17H17F3N2 |
| Molecular Weight | 306.33 g/mol |
| Exact Mass | 306.13 |
| IUPAC Name | 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine |
| SMILES | FC(F)(F)C1(c2ccc(CNNc3ccccc3)cc2)CC1 |
| InChI | InChI=1S/C17H17F3N2/c18-17(19,20)16(10-11-16)14-8-6-13(7-9-14)12-21-22-15-4-2-1-3-5-15/h1-9,21-22H,10-12H2 |
| InChIKey | NAOKNZHITZBWOB-UHFFFAOYSA-N |
| XLogP | 4.40 |
| TPSA | 24.06 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 306.33 |
| LogP ≤ 5 | 4.40 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine?
The IUPAC name of 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine (CID 169385880) is 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine.
What is the SMILES notation for 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine?
The canonical SMILES for 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine is FC(F)(F)C1(c2ccc(CNNc3ccccc3)cc2)CC1.
What is the InChIKey of 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine?
The InChIKey is NAOKNZHITZBWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2/c18-17(19,20)16(10-11-16)14-8-6-13(7-9-14)12-21-22-15-4-2-1-3-5-15/h1-9,21-22H,10-12H2.
What are the key properties of 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine?
1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine has a molecular weight of 306.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine is sourced from PubChem (CID 169385880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).