1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-
TL;DR: 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)- (CAS 100991-88-6) is a chemical compound with molecular formula C16H14F12O4 and molecular weight 498.07004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol
Also Known As: NCI60_022230, p-Bis(4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl)benzene, 1,1'-(p-Phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-1,3-butanediol), 1,3-BUTANEDIOL, 1,1'-(p-PHENYLENE)BIS(4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-, 4,4,4-trifluoro-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butane-1,3-diol
Technical Specifications
| Molecular Formula | C16H14F12O4 |
| Molecular Weight | 498.07004 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.07004 Da |
| Heavy Atoms | 32 |
| Complexity | 534.0 |
| SMILES | C1=CC(=CC=C1C(CC(C(F)(F)F)(C(F)(F)F)O)O)C(CC(C(F)(F)F)(C(F)(F)F)O)O |
| InChIKey | SUQZIKNKPDXXJX-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-
Property Insights of 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-
The XLogP value of 3.8 indicates that 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-. Following Lipinski's Rule of Five, 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)- has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-?
The CAS number of 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)- is 100991-88-6.
What is the molecular formula of 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular formula of 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)- is C16H14F12O4.
What is the molecular weight of 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular weight of 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)- is 498.07004 g/mol.
Where can I buy 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-?
You can request a quote for 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.