N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide
TL;DR: N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide (CAS 77694-31-6) is a chemical compound with molecular formula C13H14FNO3 and molecular weight 251.09576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5,5-dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide
Also Known As: N-(5,5-dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide, N-(5,5-Dimethyl-2-Oxooxolan-3-yl-4-Fluorobenzamide, N-(5,5-Dimethyl-2-oxotetrahydro-3-furyl)-p-fluorobenzamide, BENZAMIDE, N-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-p-FLUORO-, N-(5,5-Dimethyl-2-oxotetrahydrofuran-3-yl)-p-fluorobenzamide
Technical Specifications
| Molecular Formula | C13H14FNO3 |
| Molecular Weight | 251.09576 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.09576 Da |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
| SMILES | CC1(CC(C(=O)O1)NC(=O)C2=CC=C(C=C2)F)C |
| InChIKey | QRDJEPRUENASKA-UHFFFAOYSA-N |
Chemical Property Profile of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide
Property Insights of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide?
The CAS number of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide is 77694-31-6.
What is the molecular formula of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide?
The molecular formula of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide is C13H14FNO3.
What is the molecular weight of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide?
The molecular weight of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide is 251.09576 g/mol.
Where can I buy N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide?
You can request a quote for N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.