3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile
TL;DR: 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile (CAS 87988-64-5) is a chemical compound with molecular formula C11H8F6N2 and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile
Also Known As: BIDN compound, Flucybene, BIDN, SID:53788643, 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile
| Molecular Formula | C11H8F6N2 |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.05917 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 87988-64-5 |
|---|---|
| SMILES | C1CC2CC1C(C2(C(F)(F)F)C(F)(F)F)(C#N)C#N |
| InChIKey | MUIBMWREADMFQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile (CAS 87988-64-5), with molecular formula C11H8F6N2 and molecular weight 282.06 g/mol. IUPAC: 3,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile.
Chemical Property Profile of 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile
Property Insights of 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile
The XLogP value of 3.8 indicates that 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile has 0 hydrogen bond donor(s) and 8 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 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile?
The CAS number of 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile is 87988-64-5.
What is the molecular formula of 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile?
The molecular formula of 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile is C11H8F6N2.
What is the molecular weight of 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile?
The molecular weight of 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile is 282.06 g/mol.
Where can I buy 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile?
You can request a quote for 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.