三氟乙醛
TL;DR: 三氟乙醛 (CAS 75-90-1) is a chemical compound with molecular formula C2HF3O and molecular weight 98.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟乙醛
2,2,2-trifluoroacetaldehyde
Also Known As: Trifluoroacetaldehyde, Fluoral, Acetaldehyde, trifluoro-, 2,2,2-trifluoroacetaldehyde, Trifluoracetaldehyde
| Molecular Formula | C2HF3O |
|---|---|
| Molecular Weight | 98.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 97.99795 |
| Heavy Atoms | 6 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 75-90-1 |
|---|---|
| SMILES | C(=O)C(F)(F)F |
| InChIKey | JVTSHOJDBRTPHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟乙醛 (CAS 75-90-1), with molecular formula C2HF3O and molecular weight 98.00 g/mol. IUPAC: 2,2,2-trifluoroacetaldehyde.
Chemical Property Profile of 三氟乙醛
Property Insights of 三氟乙醛
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟乙醛. With a topological polar surface area (TPSA) of 17.1 Ų, 三氟乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟乙醛 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 三氟乙醛?
The CAS number of 三氟乙醛 is 75-90-1.
What is the molecular formula of 三氟乙醛?
The molecular formula of 三氟乙醛 is C2HF3O.
What is the molecular weight of 三氟乙醛?
The molecular weight of 三氟乙醛 is 98.00 g/mol.
Where can I buy 三氟乙醛?
You can request a quote for 三氟乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟乙醛?
Yes, KEHONG BIO provides custom synthesis services for 三氟乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.