1-Heptafluorobutyryloxy-2-methylpentane
TL;DR: 1-Heptafluorobutyryloxy-2-methylpentane (CAS 155089-98-8) is a chemical compound with molecular formula C10H13F7O2 and molecular weight 298.08038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpentyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 2-Hexanol, heptafluorobutyrate, 1-Heptafluorobutyryloxy-2-methylpentane, 2-Methylpentyl 2,2,3,3,4,4,4-heptafluorobutanoate, 2-Methylpentyl 2,2,3,3,4,4,4-heptafluorobutanoate #
Technical Specifications
| Molecular Formula | C10H13F7O2 |
| Molecular Weight | 298.08038 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.08038 Da |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
| SMILES | CCCC(C)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | OAVKNMKBMUDCCL-UHFFFAOYSA-N |
Chemical Property Profile of 1-Heptafluorobutyryloxy-2-methylpentane
Property Insights of 1-Heptafluorobutyryloxy-2-methylpentane
The XLogP value of 4.8 indicates that 1-Heptafluorobutyryloxy-2-methylpentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Heptafluorobutyryloxy-2-methylpentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptafluorobutyryloxy-2-methylpentane has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Heptafluorobutyryloxy-2-methylpentane?
The CAS number of 1-Heptafluorobutyryloxy-2-methylpentane is 155089-98-8.
What is the molecular formula of 1-Heptafluorobutyryloxy-2-methylpentane?
The molecular formula of 1-Heptafluorobutyryloxy-2-methylpentane is C10H13F7O2.
What is the molecular weight of 1-Heptafluorobutyryloxy-2-methylpentane?
The molecular weight of 1-Heptafluorobutyryloxy-2-methylpentane is 298.08038 g/mol.
Where can I buy 1-Heptafluorobutyryloxy-2-methylpentane?
You can request a quote for 1-Heptafluorobutyryloxy-2-methylpentane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Heptafluorobutyryloxy-2-methylpentane?
Yes, CoreyChem provides custom synthesis services for 1-Heptafluorobutyryloxy-2-methylpentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.