6,6-Difluorospermidine
TL;DR: 6,6-Difluorospermidine (CAS 111397-40-1) is a chemical compound with molecular formula C(CN)CNCC(CCN)(F)F and molecular weight 181.13905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-aminopropyl)-2,2-difluorobutane-1,4-diamine
Also Known As: 6,6-Difluorospermidine, N-(3-aminopropyl)-2,2-difluorobutane-1,4-diamine, 6,6-difluoro-4-azaoctane-1,8-diamine, 1,4-Butanediamine, N1-(3-aminopropyl)-2,2-difluoro-, J1.932.125H
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C(CN)CNCC(CCN)(F)F |
| Molecular Weight | 181.13905 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 181.13905 Da |
| Heavy Atoms | 12 |
| Complexity | 109.0 |
| SMILES | C(CN)CNCC(CCN)(F)F |
| InChIKey | IETGRDVAZYBZCY-UHFFFAOYSA-N |
Chemical Property Profile of 6,6-Difluorospermidine
Property Insights of 6,6-Difluorospermidine
The XLogP value of -0.7 indicates that 6,6-Difluorospermidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Difluorospermidine. Following Lipinski's Rule of Five, 6,6-Difluorospermidine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6,6-Difluorospermidine?
The CAS number of 6,6-Difluorospermidine is 111397-40-1.
What is the molecular formula of 6,6-Difluorospermidine?
The molecular formula of 6,6-Difluorospermidine is C(CN)CNCC(CCN)(F)F.
What is the molecular weight of 6,6-Difluorospermidine?
The molecular weight of 6,6-Difluorospermidine is 181.13905 g/mol.
Where can I buy 6,6-Difluorospermidine?
You can request a quote for 6,6-Difluorospermidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,6-Difluorospermidine?
Yes, CoreyChem provides custom synthesis services for 6,6-Difluorospermidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.