1-(1,1-Dimethylethyl)-4-fluorobenzene
TL;DR: 1-(1,1-Dimethylethyl)-4-fluorobenzene (CAS 701-30-4) is a chemical compound with molecular formula C10H13F and molecular weight 152.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-fluorobenzene
Also Known As: 1-tert-butyl-4-fluorobenzene, 1-(tert-Butyl)-4-fluorobenzene, 4-tert-Butylfluorobenzene, 4-t-Butylfluorobenzene, 4-Butylfluorobenzene
| Molecular Formula | C10H13F |
|---|---|
| Molecular Weight | 152.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.10013 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 701-30-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)F |
| InChIKey | ISXPXFQBHNIYCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,1-Dimethylethyl)-4-fluorobenzene (CAS 701-30-4), with molecular formula C10H13F and molecular weight 152.10 g/mol. IUPAC: 1-tert-butyl-4-fluorobenzene.
Chemical Property Profile of 1-(1,1-Dimethylethyl)-4-fluorobenzene
Property Insights of 1-(1,1-Dimethylethyl)-4-fluorobenzene
The XLogP value of 3.8 indicates that 1-(1,1-Dimethylethyl)-4-fluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(1,1-Dimethylethyl)-4-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,1-Dimethylethyl)-4-fluorobenzene has 0 hydrogen bond donor(s) and 1 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 1-(1,1-Dimethylethyl)-4-fluorobenzene?
The CAS number of 1-(1,1-Dimethylethyl)-4-fluorobenzene is 701-30-4.
What is the molecular formula of 1-(1,1-Dimethylethyl)-4-fluorobenzene?
The molecular formula of 1-(1,1-Dimethylethyl)-4-fluorobenzene is C10H13F.
What is the molecular weight of 1-(1,1-Dimethylethyl)-4-fluorobenzene?
The molecular weight of 1-(1,1-Dimethylethyl)-4-fluorobenzene is 152.10 g/mol.
Where can I buy 1-(1,1-Dimethylethyl)-4-fluorobenzene?
You can request a quote for 1-(1,1-Dimethylethyl)-4-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dimethylethyl)-4-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dimethylethyl)-4-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.