3-(Heptadecafluorooctyl)aniline
TL;DR: 3-(Heptadecafluorooctyl)aniline (CAS 119489-67-7) is a chemical compound with molecular formula C14H6F17N and molecular weight 511.0229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline
Also Known As: 3-(Heptadecafluorooctyl)aniline, 3-(Perfluorooctyl)aniline, 3-(perfluoro-n-octyl)benzenamine, 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline, 3-(Heptadecafluorooctyl)aniline, >=95.0%
Technical Specifications
| Molecular Formula | C14H6F17N |
| Molecular Weight | 511.0229 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.0229 Da |
| Heavy Atoms | 32 |
| Complexity | 679.0 |
| SMILES | C1=CC(=CC(=C1)N)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | FQQMUCAKAYUZFS-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Heptadecafluorooctyl)aniline
Property Insights of 3-(Heptadecafluorooctyl)aniline
The XLogP value of 6.8 indicates that 3-(Heptadecafluorooctyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-(Heptadecafluorooctyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Heptadecafluorooctyl)aniline has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(Heptadecafluorooctyl)aniline?
The CAS number of 3-(Heptadecafluorooctyl)aniline is 119489-67-7.
What is the molecular formula of 3-(Heptadecafluorooctyl)aniline?
The molecular formula of 3-(Heptadecafluorooctyl)aniline is C14H6F17N.
What is the molecular weight of 3-(Heptadecafluorooctyl)aniline?
The molecular weight of 3-(Heptadecafluorooctyl)aniline is 511.0229 g/mol.
Where can I buy 3-(Heptadecafluorooctyl)aniline?
You can request a quote for 3-(Heptadecafluorooctyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Heptadecafluorooctyl)aniline?
Yes, CoreyChem provides custom synthesis services for 3-(Heptadecafluorooctyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.