2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate
TL;DR: 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate (CAS 302912-40-9) is a chemical compound with molecular formula C8H3F4NS and molecular weight 220.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-isothiocyanato-4-(trifluoromethyl)benzene
Also Known As: 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate, 1-fluoro-2-isothiocyanato-4-(trifluoromethyl)benzene, 2-fluoro-5-(trifluoromethyl)phenylisothiocyanate, 2-FLUORO-5-TRIFLUOROMETHYLPHENYLISOTHI&, 2-FLUORO-5-TRIFLUOROMETHYLPHENYL ISOTHI&
| Molecular Formula | C8H3F4NS |
|---|---|
| Molecular Weight | 220.99 g/mol |
| LogP | 3.5788 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.99223 |
| Heavy Atoms | 14 |
| Complexity | 392.81802 |
Chemical Identifiers
| CAS Number | 302912-40-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N=C=S)F |
Product Overview
2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate (CAS 302912-40-9), with molecular formula C8H3F4NS and molecular weight 220.99 g/mol. IUPAC: 1-fluoro-2-isothiocyanato-4-(trifluoromethyl)benzene.
Chemical Property Profile of 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate
Property Insights of 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate
The XLogP value of 3.5788 indicates that 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate has 0 hydrogen bond donor(s) and 2 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 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate?
The CAS number of 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate is 302912-40-9.
What is the molecular formula of 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate?
The molecular formula of 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate is C8H3F4NS.
What is the molecular weight of 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate?
The molecular weight of 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate is 220.99 g/mol.
Where can I buy 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate?
You can request a quote for 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-5-(trifluoromethyl)phenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.