Methyl 2,2,2-trifluoroethanimidate
TL;DR: Methyl 2,2,2-trifluoroethanimidate (CAS 815-07-6) is a chemical compound with molecular formula C3H4F3NO and molecular weight 127.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,2-trifluoroethanimidate
Also Known As: methyl 2,2,2-trifluoroethanimidate, methyl trifluoroacet-imidate, NCIOpen2_001203, Methyl 2,2,2-trifluoroacetimidate, methyl(1z)-2,2,2-trifluoroethanimidoate
| Molecular Formula | C3H4F3NO |
|---|---|
| Molecular Weight | 127.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.0245 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 815-07-6 |
|---|---|
| SMILES | COC(=N)C(F)(F)F |
| InChIKey | JFUXCQSSEVTROW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,2,2-trifluoroethanimidate (CAS 815-07-6), with molecular formula C3H4F3NO and molecular weight 127.02 g/mol. IUPAC: methyl 2,2,2-trifluoroethanimidate.
Chemical Property Profile of Methyl 2,2,2-trifluoroethanimidate
Property Insights of Methyl 2,2,2-trifluoroethanimidate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2,2-trifluoroethanimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Methyl 2,2,2-trifluoroethanimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2,2-trifluoroethanimidate 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 Methyl 2,2,2-trifluoroethanimidate?
The CAS number of Methyl 2,2,2-trifluoroethanimidate is 815-07-6.
What is the molecular formula of Methyl 2,2,2-trifluoroethanimidate?
The molecular formula of Methyl 2,2,2-trifluoroethanimidate is C3H4F3NO.
What is the molecular weight of Methyl 2,2,2-trifluoroethanimidate?
The molecular weight of Methyl 2,2,2-trifluoroethanimidate is 127.02 g/mol.
Where can I buy Methyl 2,2,2-trifluoroethanimidate?
You can request a quote for Methyl 2,2,2-trifluoroethanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2,2-trifluoroethanimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,2-trifluoroethanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.