1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene
TL;DR: 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene (CAS 1029634-31-8) is a chemical compound with molecular formula C9H6F3NO and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(isocyanomethyl)-4-(trifluoromethoxy)benzene
Also Known As: Not Available, 4-(Trifluoromethoxy)benzylisocyanide, 1-(isocyanomethyl)-4-(trifluoromethoxy)benzene, (4-Trifluoromethoxy)benzyl isocyanide, 4-(Trifluoromethoxy)benzyl isocyanide
| Molecular Formula | C9H6F3NO |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 3.00449 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.04015 |
| Heavy Atoms | 14 |
| Complexity | 336.5601 |
Chemical Identifiers
| CAS Number | 1029634-31-8 |
|---|---|
| SMILES | [C-]#[N+]CC1=CC=C(C=C1)OC(F)(F)F |
Product Overview
1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene (CAS 1029634-31-8), with molecular formula C9H6F3NO and molecular weight 201.04 g/mol. IUPAC: 1-(isocyanomethyl)-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene
Property Insights of 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene
The XLogP value of 3.00449 indicates that 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.59 Ų, 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene?
The CAS number of 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene is 1029634-31-8.
What is the molecular formula of 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene?
The molecular formula of 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene is C9H6F3NO.
What is the molecular weight of 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene?
The molecular weight of 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene is 201.04 g/mol.
Where can I buy 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene?
You can request a quote for 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Isocyanomethyl)-4-(trifluoromethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.