![[Difluoro(isocyanato)methyl]benzene structure](/static/products/1644/1644-16-2.webp)
[Difluoro(isocyanato)methyl]benzene
TL;DR: [Difluoro(isocyanato)methyl]benzene (CAS 1644-16-2) is a chemical compound with molecular formula C8H5F2NO and molecular weight 169.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[difluoro(isocyanato)methyl]benzene
Also Known As: [difluoro(isocyanato)methyl]benzene|benzene, (difluoroisocyanatomethyl)-|Difluorophenylmethyl isocyanate|(Difluorisocyanatomethyl)benzol|(difluoro(isocyanato)methyl)benzene|(Difluoro-isocyanato-methyl)-benzene|Isocyanic acid, .alpha.,.alpha.-difluorobenzyl ester|RefChem:210384|DTXCID00299811|InChI=1/C8H5F2NO/c9-8(10,11-6-12)7-4-2-1-3-5-7/h1-5|WAIWRORXUAQICK-UHFFFAOYSA-N
| Molecular Formula | C8H5F2NO |
|---|---|
| Molecular Weight | 169.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.03392 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 1644-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(N=C=O)(F)F |
| InChIKey | WAIWRORXUAQICK-UHFFFAOYSA-N |
Product Overview
[Difluoro(isocyanato)methyl]benzene (CAS 1644-16-2), with molecular formula C8H5F2NO and molecular weight 169.03 g/mol. IUPAC: [difluoro(isocyanato)methyl]benzene.
Chemical Property Profile of [Difluoro(isocyanato)methyl]benzene
Property Insights of [Difluoro(isocyanato)methyl]benzene
The XLogP value of 3.4 indicates that [Difluoro(isocyanato)methyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, [Difluoro(isocyanato)methyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [Difluoro(isocyanato)methyl]benzene has 0 hydrogen bond donor(s) and 4 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 [Difluoro(isocyanato)methyl]benzene?
The CAS number of [Difluoro(isocyanato)methyl]benzene is 1644-16-2.
What is the molecular formula of [Difluoro(isocyanato)methyl]benzene?
The molecular formula of [Difluoro(isocyanato)methyl]benzene is C8H5F2NO.
What is the molecular weight of [Difluoro(isocyanato)methyl]benzene?
The molecular weight of [Difluoro(isocyanato)methyl]benzene is 169.03 g/mol.
Where can I buy [Difluoro(isocyanato)methyl]benzene?
You can request a quote for [Difluoro(isocyanato)methyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Difluoro(isocyanato)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [Difluoro(isocyanato)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.