2,2-Dimethyl-4'-fluoropropionanilide
TL;DR: 2,2-Dimethyl-4'-fluoropropionanilide (CAS 114995-47-0) is a chemical compound with molecular formula C11H14FNO and molecular weight 195.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2,2-dimethylpropanamide
Also Known As: 4-Fluoropivalamide, N-(4-fluorophenyl)-2,2-dimethylpropanamide, N-(4-Fluorophenyl)pivalamide, 4'-Fluoropivalanilide, Maybridge1_000900
| Molecular Formula | C11H14FNO |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.10594 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 114995-47-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=CC=C(C=C1)F |
| InChIKey | DDRGTIBAQBROSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-4'-fluoropropionanilide (CAS 114995-47-0), with molecular formula C11H14FNO and molecular weight 195.11 g/mol. IUPAC: N-(4-fluorophenyl)-2,2-dimethylpropanamide.
Chemical Property Profile of 2,2-Dimethyl-4'-fluoropropionanilide
Property Insights of 2,2-Dimethyl-4'-fluoropropionanilide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-4'-fluoropropionanilide. With a topological polar surface area (TPSA) of 29.1 Ų, 2,2-Dimethyl-4'-fluoropropionanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-4'-fluoropropionanilide has 1 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 2,2-Dimethyl-4'-fluoropropionanilide?
The CAS number of 2,2-Dimethyl-4'-fluoropropionanilide is 114995-47-0.
What is the molecular formula of 2,2-Dimethyl-4'-fluoropropionanilide?
The molecular formula of 2,2-Dimethyl-4'-fluoropropionanilide is C11H14FNO.
What is the molecular weight of 2,2-Dimethyl-4'-fluoropropionanilide?
The molecular weight of 2,2-Dimethyl-4'-fluoropropionanilide is 195.11 g/mol.
Where can I buy 2,2-Dimethyl-4'-fluoropropionanilide?
You can request a quote for 2,2-Dimethyl-4'-fluoropropionanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-4'-fluoropropionanilide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-4'-fluoropropionanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.