N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine
TL;DR: N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine (CAS 247170-20-3) is a chemical compound with molecular formula C13H10F13IN2 and molecular weight 567.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)pyrrolidine-1-carbonitrile
Also Known As: N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine, 3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)pyrrolidine-1-carbonitrile, 1-Pyrrolidinecarbonitrile, 3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-, 3-(Iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1-pyrrolidinecarbonitrile
| Molecular Formula | C13H10F13IN2 |
|---|---|
| Molecular Weight | 567.97 g/mol |
| LogP | 5.57938 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 567.96814 |
| Heavy Atoms | 29 |
| Complexity | 639.60004 |
Chemical Identifiers
| CAS Number | 247170-20-3 |
|---|---|
| SMILES | C1C(C(CN1C#N)CI)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine (CAS 247170-20-3), with molecular formula C13H10F13IN2 and molecular weight 567.97 g/mol. IUPAC: 3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)pyrrolidine-1-carbonitrile.
Chemical Property Profile of N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine
Property Insights of N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine
The XLogP value of 5.57938 indicates that N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine?
The CAS number of N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine is 247170-20-3.
What is the molecular formula of N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine?
The molecular formula of N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine is C13H10F13IN2.
What is the molecular weight of N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine?
The molecular weight of N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine is 567.97 g/mol.
Where can I buy N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine?
You can request a quote for N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for N-Cyano-3-(iodomethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.