Tert-butyloxycarbonyl fluoride
TL;DR: Tert-butyloxycarbonyl fluoride (CAS 18595-34-1) is a chemical compound with molecular formula C5H9FO2 and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl carbonofluoridate
Also Known As: Tert-butyl Fluoroformate, t-butyl fluorocarbonate, tert-butyloxycarbonyl fluoride, BOC-F, tert-butyl carbonofluoridate
| Molecular Formula | C5H9FO2 |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 1.891 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.058655 |
| Heavy Atoms | 8 |
| Complexity | 93.09202 |
Chemical Identifiers
| CAS Number | 18595-34-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)F |
Product Overview
Tert-butyloxycarbonyl fluoride (CAS 18595-34-1), with molecular formula C5H9FO2 and molecular weight 120.06 g/mol. IUPAC: tert-butyl carbonofluoridate.
Chemical Property Profile of Tert-butyloxycarbonyl fluoride
Property Insights of Tert-butyloxycarbonyl fluoride
The XLogP value of 1.891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyloxycarbonyl fluoride. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyloxycarbonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyloxycarbonyl fluoride has 0 hydrogen bond donor(s) and 2 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 Tert-butyloxycarbonyl fluoride?
The CAS number of Tert-butyloxycarbonyl fluoride is 18595-34-1.
What is the molecular formula of Tert-butyloxycarbonyl fluoride?
The molecular formula of Tert-butyloxycarbonyl fluoride is C5H9FO2.
What is the molecular weight of Tert-butyloxycarbonyl fluoride?
The molecular weight of Tert-butyloxycarbonyl fluoride is 120.06 g/mol.
Where can I buy Tert-butyloxycarbonyl fluoride?
You can request a quote for Tert-butyloxycarbonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyloxycarbonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyloxycarbonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.