1-14C-Trichloroacetonitrile
TL;DR: 1-14C-Trichloroacetonitrile (CAS 7183-59-7) is a chemical compound with molecular formula [14C](#N)C(F)(F)F and molecular weight 97.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroacetonitrile
Also Known As: Cyanotrifluoromethane, 1-14C-Trichloroacetonitrile, 2,2,2-trifluoroacetonitrile, Acetonitrile-1-14C, trifluoro-, Trifluoro(1-~14~C)acetonitrile
| Molecular Formula | [14C](#N)C(F)(F)F |
|---|---|
| Molecular Weight | 97.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 97.001526 |
| Heavy Atoms | 6 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 7183-59-7 |
|---|---|
| SMILES | [14C](#N)C(F)(F)F |
| InChIKey | SFFUEHODRAXXIA-NJFSPNSNSA-N |
Product Overview
1-14C-Trichloroacetonitrile (CAS 7183-59-7), with molecular formula [14C](#N)C(F)(F)F and molecular weight 97.00 g/mol. IUPAC: 2,2,2-trifluoroacetonitrile.
Chemical Property Profile of 1-14C-Trichloroacetonitrile
Property Insights of 1-14C-Trichloroacetonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-14C-Trichloroacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 1-14C-Trichloroacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-14C-Trichloroacetonitrile has 0 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 1-14C-Trichloroacetonitrile?
The CAS number of 1-14C-Trichloroacetonitrile is 7183-59-7.
What is the molecular formula of 1-14C-Trichloroacetonitrile?
The molecular formula of 1-14C-Trichloroacetonitrile is [14C](#N)C(F)(F)F.
What is the molecular weight of 1-14C-Trichloroacetonitrile?
The molecular weight of 1-14C-Trichloroacetonitrile is 97.00 g/mol.
Where can I buy 1-14C-Trichloroacetonitrile?
You can request a quote for 1-14C-Trichloroacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-14C-Trichloroacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-14C-Trichloroacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.