三氟乙酸-d
TL;DR: 三氟乙酸-d (CAS 599-00-8) is a chemical compound with molecular formula C2HF3O2 and molecular weight 115.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟乙酸-d
deuterio 2,2,2-trifluoroacetate
Also Known As: Trifluoroacetic acid-d, trifluoroacetic acid-d1, Deuterotrifluoroacetic acid, qvxfff&&d(acid), TFA-d
| Molecular Formula | C2HF3O2 |
|---|---|
| Molecular Weight | 115.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.99914 |
| Heavy Atoms | 7 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 599-00-8 |
|---|---|
| SMILES | [2H]OC(=O)C(F)(F)F |
| InChIKey | DTQVDTLACAAQTR-DYCDLGHISA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟乙酸-d (CAS 599-00-8), with molecular formula C2HF3O2 and molecular weight 115.00 g/mol. IUPAC: deuterio 2,2,2-trifluoroacetate.
Chemical Property Profile of 三氟乙酸-d
Property Insights of 三氟乙酸-d
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟乙酸-d. With a topological polar surface area (TPSA) of 37.3 Ų, 三氟乙酸-d exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟乙酸-d 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 三氟乙酸-d?
The CAS number of 三氟乙酸-d is 599-00-8.
What is the molecular formula of 三氟乙酸-d?
The molecular formula of 三氟乙酸-d is C2HF3O2.
What is the molecular weight of 三氟乙酸-d?
The molecular weight of 三氟乙酸-d is 115.00 g/mol.
Where can I buy 三氟乙酸-d?
You can request a quote for 三氟乙酸-d directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟乙酸-d?
Yes, KEHONG BIO provides custom synthesis services for 三氟乙酸-d and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.