Acetaldehyde-1-d, 2,2,2-trifluoro-
TL;DR: Acetaldehyde-1-d, 2,2,2-trifluoro- (CAS 20049-89-2) is a chemical compound with molecular formula C2HF3O and molecular weight 99.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-deuterio-2,2,2-trifluoroethanone
Also Known As: Fluoral, trifluoro(2h)acetaldehyde, Trifluoro(~2~H)acetaldehyde, Trifluoro(1-2H)acetaldehyde, Acetaldehyde-1-d, 2,2,2-trifluoro-
| Molecular Formula | C2HF3O |
|---|---|
| Molecular Weight | 99.00 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 | 99.00423 |
| Heavy Atoms | 6 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 20049-89-2 |
|---|---|
| SMILES | [2H]C(=O)C(F)(F)F |
| InChIKey | JVTSHOJDBRTPHD-MICDWDOJSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetaldehyde-1-d, 2,2,2-trifluoro- (CAS 20049-89-2), with molecular formula C2HF3O and molecular weight 99.00 g/mol. IUPAC: 1-deuterio-2,2,2-trifluoroethanone.
Chemical Property Profile of Acetaldehyde-1-d, 2,2,2-trifluoro-
Property Insights of Acetaldehyde-1-d, 2,2,2-trifluoro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetaldehyde-1-d, 2,2,2-trifluoro-. With a topological polar surface area (TPSA) of 17.1 Ų, Acetaldehyde-1-d, 2,2,2-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetaldehyde-1-d, 2,2,2-trifluoro- 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 Acetaldehyde-1-d, 2,2,2-trifluoro-?
The CAS number of Acetaldehyde-1-d, 2,2,2-trifluoro- is 20049-89-2.
What is the molecular formula of Acetaldehyde-1-d, 2,2,2-trifluoro-?
The molecular formula of Acetaldehyde-1-d, 2,2,2-trifluoro- is C2HF3O.
What is the molecular weight of Acetaldehyde-1-d, 2,2,2-trifluoro-?
The molecular weight of Acetaldehyde-1-d, 2,2,2-trifluoro- is 99.00 g/mol.
Where can I buy Acetaldehyde-1-d, 2,2,2-trifluoro-?
You can request a quote for Acetaldehyde-1-d, 2,2,2-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaldehyde-1-d, 2,2,2-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for Acetaldehyde-1-d, 2,2,2-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.