2-Isopropylfluorobenzene
TL;DR: 2-Isopropylfluorobenzene (CAS 2022-67-5) is a chemical compound with molecular formula CC(C)C1=CC=CC=C1F and molecular weight 138.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-propan-2-ylbenzene
Also Known As: 2-Fluorocumene, 2-Isopropylfluorobenzene, isopropylfluorobenzene, 1-fluoro-2-(propan-2-yl)benzene, 1-fluoro-2-propan-2-ylbenzene
| Molecular Formula | CC(C)C1=CC=CC=C1F |
|---|---|
| Molecular Weight | 138.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.08447 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 2022-67-5 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1F |
| InChIKey | ICTCCOUARBGHFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropylfluorobenzene (CAS 2022-67-5), with molecular formula CC(C)C1=CC=CC=C1F and molecular weight 138.08 g/mol. IUPAC: 1-fluoro-2-propan-2-ylbenzene.
Chemical Property Profile of 2-Isopropylfluorobenzene
Property Insights of 2-Isopropylfluorobenzene
The XLogP value of 3.3 indicates that 2-Isopropylfluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Isopropylfluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropylfluorobenzene 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 2-Isopropylfluorobenzene?
The CAS number of 2-Isopropylfluorobenzene is 2022-67-5.
What is the molecular formula of 2-Isopropylfluorobenzene?
The molecular formula of 2-Isopropylfluorobenzene is CC(C)C1=CC=CC=C1F.
What is the molecular weight of 2-Isopropylfluorobenzene?
The molecular weight of 2-Isopropylfluorobenzene is 138.08 g/mol.
Where can I buy 2-Isopropylfluorobenzene?
You can request a quote for 2-Isopropylfluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropylfluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropylfluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.