2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl-
TL;DR: 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- (CAS 80958-25-4) is a chemical compound with molecular formula C7H9F3 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4,4-dimethylpent-2-yne
Also Known As: 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl-, 1,1,1-trifluoro-4,4-dimethylpent-2-yne
| Molecular Formula | C7H9F3 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.06563 |
| Heavy Atoms | 10 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 80958-25-4 |
|---|---|
| SMILES | CC(C)(C)C#CC(F)(F)F |
| InChIKey | FKRAVPLPZSXNDO-UHFFFAOYSA-N |
Product Overview
2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- (CAS 80958-25-4), with molecular formula C7H9F3 and molecular weight 150.07 g/mol. IUPAC: 1,1,1-trifluoro-4,4-dimethylpent-2-yne.
Chemical Property Profile of 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl-
Property Insights of 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl-
The XLogP value of 3.2 indicates that 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- has 0 hydrogen bond donor(s) and 3 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-Pentyne, 1,1,1-trifluoro-4,4-dimethyl-?
The CAS number of 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- is 80958-25-4.
What is the molecular formula of 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl-?
The molecular formula of 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- is C7H9F3.
What is the molecular weight of 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl-?
The molecular weight of 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- is 150.07 g/mol.
Where can I buy 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl-?
You can request a quote for 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentyne, 1,1,1-trifluoro-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.