Butyronitrile, 2,4,4,4-tetrafluoro-
TL;DR: Butyronitrile, 2,4,4,4-tetrafluoro- (CAS 5522-59-8) is a chemical compound with molecular formula C4H3F4N and molecular weight 141.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4,4-tetrafluorobutanenitrile
Also Known As: 2,4,4,4-Tetrafluorobutanenitrile, 2,4,4,4-Tetrafluorobutyronitrile, Butyronitrile, 2,4,4,4-tetrafluoro-, 2,4,4,4-Tetrafluorobutanenitrile #
| Molecular Formula | C4H3F4N |
|---|---|
| Molecular Weight | 141.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.02016 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 5522-59-8 |
|---|---|
| SMILES | C(C(C#N)F)C(F)(F)F |
| InChIKey | LPNSRJNQRQJWOX-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 2,4,4,4-tetrafluoro- (CAS 5522-59-8), with molecular formula C4H3F4N and molecular weight 141.02 g/mol. IUPAC: 2,4,4,4-tetrafluorobutanenitrile.
Chemical Property Profile of Butyronitrile, 2,4,4,4-tetrafluoro-
Property Insights of Butyronitrile, 2,4,4,4-tetrafluoro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyronitrile, 2,4,4,4-tetrafluoro-. With a topological polar surface area (TPSA) of 23.8 Ų, Butyronitrile, 2,4,4,4-tetrafluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 2,4,4,4-tetrafluoro- 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 Butyronitrile, 2,4,4,4-tetrafluoro-?
The CAS number of Butyronitrile, 2,4,4,4-tetrafluoro- is 5522-59-8.
What is the molecular formula of Butyronitrile, 2,4,4,4-tetrafluoro-?
The molecular formula of Butyronitrile, 2,4,4,4-tetrafluoro- is C4H3F4N.
What is the molecular weight of Butyronitrile, 2,4,4,4-tetrafluoro-?
The molecular weight of Butyronitrile, 2,4,4,4-tetrafluoro- is 141.02 g/mol.
Where can I buy Butyronitrile, 2,4,4,4-tetrafluoro-?
You can request a quote for Butyronitrile, 2,4,4,4-tetrafluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyronitrile, 2,4,4,4-tetrafluoro-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 2,4,4,4-tetrafluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.