4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol
TL;DR: 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol (CAS 100482-44-8) is a chemical compound with molecular formula C11H8ClF6NO3 and molecular weight 351.0097 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol
Also Known As: 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)-2-butanol, 4-chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol, 2-BUTANOL, 4-CHLORO-4-(m-NITROPHENYL)-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-, 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)-2-butan ol, 4-Chloro-4-(m-nitrophenyl)-1,1,1-trifluoro-2-trifluoromethyl-2-butanol
Technical Specifications
| Molecular Formula | C11H8ClF6NO3 |
| Molecular Weight | 351.0097 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.0097 Da |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(C(F)(F)F)(C(F)(F)F)O)Cl |
| InChIKey | UFLYCPKQNJKUGW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol
Property Insights of 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol
The XLogP value of 4.0 indicates that 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol. Following Lipinski's Rule of Five, 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol?
The CAS number of 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol is 100482-44-8.
What is the molecular formula of 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol?
The molecular formula of 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol is C11H8ClF6NO3.
What is the molecular weight of 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol?
The molecular weight of 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol is 351.0097 g/mol.
Where can I buy 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol?
You can request a quote for 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.