3,3-Difluoro-2-propenenitrile
TL;DR: 3,3-Difluoro-2-propenenitrile (CAS 461-51-8) is a chemical compound with molecular formula C3HF2N and molecular weight 89.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-difluoroprop-2-enenitrile
Also Known As: difluoroacrylonitrile, 3,3-Difluoroacrylonitrile, 2,2=Difluoropropenenitrile, 3,3-difluoroprop-2-enenitrile, 3,3-Difluoro-2-propenenitrile
| Molecular Formula | C3HF2N |
|---|---|
| Molecular Weight | 89.01 g/mol |
| LogP | 1.29038 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 89.007706 |
| Heavy Atoms | 6 |
| Complexity | 95.85105 |
Chemical Identifiers
| CAS Number | 461-51-8 |
|---|---|
| SMILES | C(=C(F)F)C#N |
Product Overview
3,3-Difluoro-2-propenenitrile (CAS 461-51-8), with molecular formula C3HF2N and molecular weight 89.01 g/mol. IUPAC: 3,3-difluoroprop-2-enenitrile.
Chemical Property Profile of 3,3-Difluoro-2-propenenitrile
Property Insights of 3,3-Difluoro-2-propenenitrile
The XLogP value of 1.29038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Difluoro-2-propenenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 3,3-Difluoro-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Difluoro-2-propenenitrile has 0 hydrogen bond donor(s) and 1 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-Difluoro-2-propenenitrile?
The CAS number of 3,3-Difluoro-2-propenenitrile is 461-51-8.
What is the molecular formula of 3,3-Difluoro-2-propenenitrile?
The molecular formula of 3,3-Difluoro-2-propenenitrile is C3HF2N.
What is the molecular weight of 3,3-Difluoro-2-propenenitrile?
The molecular weight of 3,3-Difluoro-2-propenenitrile is 89.01 g/mol.
Where can I buy 3,3-Difluoro-2-propenenitrile?
You can request a quote for 3,3-Difluoro-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Difluoro-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Difluoro-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.