C9H12F5NO
TL;DR: C9H12F5NO (CAS 292065-33-9) is a chemical compound with molecular formula C9H12F5NO and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,2-pentafluoro-5-(propan-2-ylamino)hex-4-en-3-one
Also Known As: 1,1,1,2,2-pentafluoro-5-(propan-2-ylamino)hex-4-en-3-one, 1,1,1,2,2-PENTAFLUORO-5-(ISOPROPYLAMINO)HEX-4-EN-3-ONE, 1,1,1,2,2-Pentafluoro-5-(isopropylimino)hex-4-(Z)-ene-3-one, 5-ISOPROPYLAMINO-1,1,1,2,2-PENTAFLUOROHEX-4-EN-3-ONE
| Molecular Formula | C9H12F5NO |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 2.6549 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.08391 |
| Heavy Atoms | 16 |
| Complexity | 292.7647 |
Chemical Identifiers
| CAS Number | 292065-33-9 |
|---|---|
| SMILES | CC(C)NC(=CC(=O)C(C(F)(F)F)(F)F)C |
Product Overview
C9H12F5NO (CAS 292065-33-9), with molecular formula C9H12F5NO and molecular weight 245.08 g/mol. IUPAC: 1,1,1,2,2-pentafluoro-5-(propan-2-ylamino)hex-4-en-3-one.
Chemical Property Profile of C9H12F5NO
Property Insights of C9H12F5NO
The XLogP value of 2.6549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H12F5NO. With a topological polar surface area (TPSA) of 29.1 Ų, C9H12F5NO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C9H12F5NO has 1 hydrogen bond donor(s) and 2 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 C9H12F5NO?
The CAS number of C9H12F5NO is 292065-33-9.
What is the molecular formula of C9H12F5NO?
The molecular formula of C9H12F5NO is C9H12F5NO.
What is the molecular weight of C9H12F5NO?
The molecular weight of C9H12F5NO is 245.08 g/mol.
Where can I buy C9H12F5NO?
You can request a quote for C9H12F5NO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H12F5NO?
Yes, KEHONG BIO provides custom synthesis services for C9H12F5NO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.