Difluoromethoxyacetic acid
TL;DR: Difluoromethoxyacetic acid (CAS 29101-99-3) is a chemical compound with molecular formula C3H4F2O3 and molecular weight 126.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(difluoromethoxy)acetic acid
Also Known As: 2-(difluoromethoxy)acetic acid, Difluoromethoxyacetic acid, (difluoromethoxy)acetic acid, 2-(difluoromethoxy)aceticacid, Difluoromethoxy-acetic acid
| Molecular Formula | C3H4F2O3 |
|---|---|
| Molecular Weight | 126.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.01285 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 29101-99-3 |
|---|---|
| SMILES | C(C(=O)O)OC(F)F |
| InChIKey | DFUYDBNOCSKWJZ-UHFFFAOYSA-N |
Product Overview
Difluoromethoxyacetic acid (CAS 29101-99-3), with molecular formula C3H4F2O3 and molecular weight 126.01 g/mol. IUPAC: 2-(difluoromethoxy)acetic acid.
Chemical Property Profile of Difluoromethoxyacetic acid
Property Insights of Difluoromethoxyacetic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difluoromethoxyacetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, Difluoromethoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluoromethoxyacetic acid 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 Difluoromethoxyacetic acid?
The CAS number of Difluoromethoxyacetic acid is 29101-99-3.
What is the molecular formula of Difluoromethoxyacetic acid?
The molecular formula of Difluoromethoxyacetic acid is C3H4F2O3.
What is the molecular weight of Difluoromethoxyacetic acid?
The molecular weight of Difluoromethoxyacetic acid is 126.01 g/mol.
Where can I buy Difluoromethoxyacetic acid?
You can request a quote for Difluoromethoxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluoromethoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Difluoromethoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.