3,3,3-Trifluoropropanal
TL;DR: 3,3,3-Trifluoropropanal (CAS 460-40-2) is a chemical compound with molecular formula C3H3F3O and molecular weight 112.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoropropanal
Also Known As: 3,3,3-Trifluoropropanal, 3,3,3-Trifluoropropionaldehyde, Propanal, 3,3,3-trifluoro-, Trifluoropropionaldehyde, Propanal,3,3,3-trifluoro-
| Molecular Formula | C3H3F3O |
|---|---|
| Molecular Weight | 112.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.013596 |
| Heavy Atoms | 7 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 460-40-2 |
|---|---|
| SMILES | C(C=O)C(F)(F)F |
| InChIKey | UTMIEQASUFFADK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,3-Trifluoropropanal (CAS 460-40-2), with molecular formula C3H3F3O and molecular weight 112.01 g/mol. IUPAC: 3,3,3-trifluoropropanal.
Chemical Property Profile of 3,3,3-Trifluoropropanal
Property Insights of 3,3,3-Trifluoropropanal
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,3-Trifluoropropanal. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3,3-Trifluoropropanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trifluoropropanal has 0 hydrogen bond donor(s) and 4 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-Trifluoropropanal?
The CAS number of 3,3,3-Trifluoropropanal is 460-40-2.
What is the molecular formula of 3,3,3-Trifluoropropanal?
The molecular formula of 3,3,3-Trifluoropropanal is C3H3F3O.
What is the molecular weight of 3,3,3-Trifluoropropanal?
The molecular weight of 3,3,3-Trifluoropropanal is 112.01 g/mol.
Where can I buy 3,3,3-Trifluoropropanal?
You can request a quote for 3,3,3-Trifluoropropanal 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-Trifluoropropanal?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trifluoropropanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.