1,1,1-Trifluoro-2-isocyanoethane
TL;DR: 1,1,1-Trifluoro-2-isocyanoethane (CAS 143984-04-7) is a chemical compound with molecular formula C3H2F3N and molecular weight 109.01393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-2-isocyanoethane
Also Known As: 1,1,1-trifluoro-2-isocyanoethane, 2,2,2-Trifluoroethyl isocyanide, 1,1,1-trifluoro-2-isocyano-ethane, J1.087.088G
Technical Specifications
| Molecular Formula | C3H2F3N |
| Molecular Weight | 109.01393 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.01393 Da |
| Heavy Atoms | 7 |
| Complexity | 94.0 |
| SMILES | [C-]#[N+]CC(F)(F)F |
| InChIKey | MRKLAGWUCHALJN-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1-Trifluoro-2-isocyanoethane
Property Insights of 1,1,1-Trifluoro-2-isocyanoethane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-2-isocyanoethane. With a topological polar surface area (TPSA) of 4.4 Ų, 1,1,1-Trifluoro-2-isocyanoethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-2-isocyanoethane 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
What is the CAS number of 1,1,1-Trifluoro-2-isocyanoethane?
The CAS number of 1,1,1-Trifluoro-2-isocyanoethane is 143984-04-7.
What is the molecular formula of 1,1,1-Trifluoro-2-isocyanoethane?
The molecular formula of 1,1,1-Trifluoro-2-isocyanoethane is C3H2F3N.
What is the molecular weight of 1,1,1-Trifluoro-2-isocyanoethane?
The molecular weight of 1,1,1-Trifluoro-2-isocyanoethane is 109.01393 g/mol.
Where can I buy 1,1,1-Trifluoro-2-isocyanoethane?
You can request a quote for 1,1,1-Trifluoro-2-isocyanoethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trifluoro-2-isocyanoethane?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trifluoro-2-isocyanoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.