3,3,3-Trifluoropropylbenzene
TL;DR: 3,3,3-Trifluoropropylbenzene (CAS 216144-68-2) is a chemical compound with molecular formula C9H9F3 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoropropylbenzene
Also Known As: (3,3,3-trifluoropropyl)benzene, 3,3,3-Trifluoropropylbenzene, benzene, Benzene, (3,3,3-trifluoropropyl)-, Benzene,(3,3,3-trifluoropropyl)-
| Molecular Formula | C9H9F3 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.06563 |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 216144-68-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(F)(F)F |
| InChIKey | NLMURJDGDBEMAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,3-Trifluoropropylbenzene (CAS 216144-68-2), with molecular formula C9H9F3 and molecular weight 174.07 g/mol. IUPAC: 3,3,3-trifluoropropylbenzene.
Chemical Property Profile of 3,3,3-Trifluoropropylbenzene
Property Insights of 3,3,3-Trifluoropropylbenzene
The XLogP value of 3.3 indicates that 3,3,3-Trifluoropropylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3,3-Trifluoropropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trifluoropropylbenzene has 0 hydrogen bond donor(s) and 3 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 3,3,3-Trifluoropropylbenzene?
The CAS number of 3,3,3-Trifluoropropylbenzene is 216144-68-2.
What is the molecular formula of 3,3,3-Trifluoropropylbenzene?
The molecular formula of 3,3,3-Trifluoropropylbenzene is C9H9F3.
What is the molecular weight of 3,3,3-Trifluoropropylbenzene?
The molecular weight of 3,3,3-Trifluoropropylbenzene is 174.07 g/mol.
Where can I buy 3,3,3-Trifluoropropylbenzene?
You can request a quote for 3,3,3-Trifluoropropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-Trifluoropropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trifluoropropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.