2-Amino-6-trifluoromethylbenzonorbornene
TL;DR: 2-Amino-6-trifluoromethylbenzonorbornene (CAS 88218-00-2) is a chemical compound with molecular formula C12H12F3N and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,8S,9R)-4-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-amine
Also Known As: 2-Atfmb, 2-Amino-6-trifluoromethylbenzonorbornene, KST-1B9016, J1.588.114C, 1,4-methanonaphthalen-2-amine, 1,2,3,4-tetrahydro-6-(trifluoromethyl)-,(1
| Molecular Formula | C12H12F3N |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.09218 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 88218-00-2 |
|---|---|
| SMILES | C1[C@H]2C[C@H]([C@@H]1C3=C2C=C(C=C3)C(F)(F)F)N |
| InChIKey | YVQIQERXVFKDDA-NRZXQICZSA-N |
Product Overview
2-Amino-6-trifluoromethylbenzonorbornene (CAS 88218-00-2), with molecular formula C12H12F3N and molecular weight 227.09 g/mol. IUPAC: (1S,8S,9R)-4-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-amine.
Chemical Property Profile of 2-Amino-6-trifluoromethylbenzonorbornene
Property Insights of 2-Amino-6-trifluoromethylbenzonorbornene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-trifluoromethylbenzonorbornene. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Amino-6-trifluoromethylbenzonorbornene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-6-trifluoromethylbenzonorbornene has 1 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 2-Amino-6-trifluoromethylbenzonorbornene?
The CAS number of 2-Amino-6-trifluoromethylbenzonorbornene is 88218-00-2.
What is the molecular formula of 2-Amino-6-trifluoromethylbenzonorbornene?
The molecular formula of 2-Amino-6-trifluoromethylbenzonorbornene is C12H12F3N.
What is the molecular weight of 2-Amino-6-trifluoromethylbenzonorbornene?
The molecular weight of 2-Amino-6-trifluoromethylbenzonorbornene is 227.09 g/mol.
Where can I buy 2-Amino-6-trifluoromethylbenzonorbornene?
You can request a quote for 2-Amino-6-trifluoromethylbenzonorbornene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-trifluoromethylbenzonorbornene?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-trifluoromethylbenzonorbornene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.