4-Anilino-1,1,1-trifluoro-2-butanol
TL;DR: 4-Anilino-1,1,1-trifluoro-2-butanol (CAS 439109-74-7) is a chemical compound with molecular formula C10H12F3NO and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-1,1,1-trifluorobutan-2-ol
Also Known As: 1,1,1-trifluoro-4-(phenylamino)butan-2-ol, 4-anilino-1,1,1-trifluoro-2-butanol, 4-anilino-1,1,1-trifluorobutan-2-ol, 4-anilino-1,1,1-trifluoro-butan-2-ol, 5R-0626
| Molecular Formula | C10H12F3NO |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.4118 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.0871 |
| Heavy Atoms | 15 |
| Complexity | 286.46902 |
Chemical Identifiers
| CAS Number | 439109-74-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCC(C(F)(F)F)O |
Product Overview
4-Anilino-1,1,1-trifluoro-2-butanol (CAS 439109-74-7), with molecular formula C10H12F3NO and molecular weight 219.09 g/mol. IUPAC: 4-anilino-1,1,1-trifluorobutan-2-ol.
Chemical Property Profile of 4-Anilino-1,1,1-trifluoro-2-butanol
Property Insights of 4-Anilino-1,1,1-trifluoro-2-butanol
The XLogP value of 2.4118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Anilino-1,1,1-trifluoro-2-butanol. With a topological polar surface area (TPSA) of 32.26 Ų, 4-Anilino-1,1,1-trifluoro-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Anilino-1,1,1-trifluoro-2-butanol has 2 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 4-Anilino-1,1,1-trifluoro-2-butanol?
The CAS number of 4-Anilino-1,1,1-trifluoro-2-butanol is 439109-74-7.
What is the molecular formula of 4-Anilino-1,1,1-trifluoro-2-butanol?
The molecular formula of 4-Anilino-1,1,1-trifluoro-2-butanol is C10H12F3NO.
What is the molecular weight of 4-Anilino-1,1,1-trifluoro-2-butanol?
The molecular weight of 4-Anilino-1,1,1-trifluoro-2-butanol is 219.09 g/mol.
Where can I buy 4-Anilino-1,1,1-trifluoro-2-butanol?
You can request a quote for 4-Anilino-1,1,1-trifluoro-2-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-1,1,1-trifluoro-2-butanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-1,1,1-trifluoro-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.