3-Chloro-4,4,4-trifluoro-2-phenylbutanal
TL;DR: 3-Chloro-4,4,4-trifluoro-2-phenylbutanal (CAS 680215-46-7) is a chemical compound with molecular formula C10H8ClF3O and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4,4,4-trifluoro-2-phenylbutanal
Also Known As: 3-chloro-4,4,4-trifluoro-2-phenylbutanal
| Molecular Formula | C10H8ClF3O |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 3.1388 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.02158 |
| Heavy Atoms | 15 |
| Complexity | 323.18942 |
Chemical Identifiers
| CAS Number | 680215-46-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C=O)C(C(F)(F)F)Cl |
Product Overview
3-Chloro-4,4,4-trifluoro-2-phenylbutanal (CAS 680215-46-7), with molecular formula C10H8ClF3O and molecular weight 236.02 g/mol. IUPAC: 3-chloro-4,4,4-trifluoro-2-phenylbutanal.
Chemical Property Profile of 3-Chloro-4,4,4-trifluoro-2-phenylbutanal
Property Insights of 3-Chloro-4,4,4-trifluoro-2-phenylbutanal
The XLogP value of 3.1388 indicates that 3-Chloro-4,4,4-trifluoro-2-phenylbutanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Chloro-4,4,4-trifluoro-2-phenylbutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4,4,4-trifluoro-2-phenylbutanal 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 3-Chloro-4,4,4-trifluoro-2-phenylbutanal?
The CAS number of 3-Chloro-4,4,4-trifluoro-2-phenylbutanal is 680215-46-7.
What is the molecular formula of 3-Chloro-4,4,4-trifluoro-2-phenylbutanal?
The molecular formula of 3-Chloro-4,4,4-trifluoro-2-phenylbutanal is C10H8ClF3O.
What is the molecular weight of 3-Chloro-4,4,4-trifluoro-2-phenylbutanal?
The molecular weight of 3-Chloro-4,4,4-trifluoro-2-phenylbutanal is 236.02 g/mol.
Where can I buy 3-Chloro-4,4,4-trifluoro-2-phenylbutanal?
You can request a quote for 3-Chloro-4,4,4-trifluoro-2-phenylbutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4,4,4-trifluoro-2-phenylbutanal?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4,4,4-trifluoro-2-phenylbutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.