Carbonocyanidic amide, (trifluoromethyl)-
TL;DR: Carbonocyanidic amide, (trifluoromethyl)- (CAS 70856-23-4) is a chemical compound with molecular formula C3HF3N2O and molecular weight 138.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-N-(trifluoromethyl)formamide
Also Known As: [[N- amino]carbonyl]cyanide|[(Cyanocarbonyl)amino](trifluoro)methane|1-cyano-N-(trifluoromethyl)formamide|Carbonocyanidic amide, (trifluoromethyl)-|[(Cyanocarbonyl)amino](trifluoro)methane #|[[N-(Trifluoromethyl)amino]carbonyl] cyanide|YLZDHLSDSLNPAD-UHFFFAOYSA-N
| Molecular Formula | C3HF3N2O |
|---|---|
| Molecular Weight | 138.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.0041 |
| Heavy Atoms | 9 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 70856-23-4 |
|---|---|
| SMILES | C(#N)C(=O)NC(F)(F)F |
| InChIKey | YLZDHLSDSLNPAD-UHFFFAOYSA-N |
Product Overview
Carbonocyanidic amide, (trifluoromethyl)- (CAS 70856-23-4), with molecular formula C3HF3N2O and molecular weight 138.00 g/mol. IUPAC: 1-cyano-N-(trifluoromethyl)formamide.
Chemical Property Profile of Carbonocyanidic amide, (trifluoromethyl)-
Property Insights of Carbonocyanidic amide, (trifluoromethyl)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonocyanidic amide, (trifluoromethyl)-. With a topological polar surface area (TPSA) of 52.9 Ų, Carbonocyanidic amide, (trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonocyanidic amide, (trifluoromethyl)- has 1 hydrogen bond donor(s) and 5 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 Carbonocyanidic amide, (trifluoromethyl)-?
The CAS number of Carbonocyanidic amide, (trifluoromethyl)- is 70856-23-4.
What is the molecular formula of Carbonocyanidic amide, (trifluoromethyl)-?
The molecular formula of Carbonocyanidic amide, (trifluoromethyl)- is C3HF3N2O.
What is the molecular weight of Carbonocyanidic amide, (trifluoromethyl)-?
The molecular weight of Carbonocyanidic amide, (trifluoromethyl)- is 138.00 g/mol.
Where can I buy Carbonocyanidic amide, (trifluoromethyl)-?
You can request a quote for Carbonocyanidic amide, (trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonocyanidic amide, (trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Carbonocyanidic amide, (trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.