Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone
TL;DR: Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone (CAS 447431-60-9) is a chemical compound with molecular formula C12H12F3NO and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrrolidin-1-yl-[4-(trifluoromethyl)phenyl]methanone
Also Known As: 1-[4-(trifluoromethyl)benzoyl]pyrrolidine, Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone, 1-(p-Trifluoromethylbenzoyl)pyrrolidine, pyrrolidin-1-yl-[4-(trifluoromethyl)phenyl]methanone, pyrrolidinyl 4-(trifluoromethyl)phenyl ketone
| Molecular Formula | C12H12F3NO |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.0871 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 447431-60-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=CC=C(C=C2)C(F)(F)F |
| InChIKey | NASITTYCVFEAGM-UHFFFAOYSA-N |
Product Overview
Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone (CAS 447431-60-9), with molecular formula C12H12F3NO and molecular weight 243.09 g/mol. IUPAC: pyrrolidin-1-yl-[4-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone
Property Insights of Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone. With a topological polar surface area (TPSA) of 20.3 Ų, Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone 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 Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone?
The CAS number of Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone is 447431-60-9.
What is the molecular formula of Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone?
The molecular formula of Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone is C12H12F3NO.
What is the molecular weight of Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone?
The molecular weight of Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone is 243.09 g/mol.
Where can I buy Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone?
You can request a quote for Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidin-1-yl(4-(trifluoromethyl)phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.