![Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester structure](/static/products/5493/54934-98-4.webp)
Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester
TL;DR: Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester (CAS 54934-98-4) is a chemical compound with molecular formula C9H11F3O2 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bicyclo[2.2.1]heptanyl 2,2,2-trifluoroacetate
Also Known As: exo-norbornyl trifluoroacetate, 2-exo-Norbornyltrifluoroacetat, exo-Norborneol, trifluoroacetate, Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester, Bicyclo[2.2.1]hept-2-yl trifluoroacetate
| Molecular Formula | C9H11F3O2 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07112 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 54934-98-4 |
|---|---|
| SMILES | C1CC2CC1CC2OC(=O)C(F)(F)F |
| InChIKey | TYDZLCYUJXYSAI-UHFFFAOYSA-N |
Product Overview
Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester (CAS 54934-98-4), with molecular formula C9H11F3O2 and molecular weight 208.07 g/mol. IUPAC: 2-bicyclo[2.2.1]heptanyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester
Property Insights of Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester
The XLogP value of 3.0 indicates that Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester has 0 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 Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester?
The CAS number of Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester is 54934-98-4.
What is the molecular formula of Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester?
The molecular formula of Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester is C9H11F3O2.
What is the molecular weight of Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester?
The molecular weight of Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester is 208.07 g/mol.
Where can I buy Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester?
You can request a quote for Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.