Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
TL;DR: Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- (CAS 100700-44-5) is a chemical compound with molecular formula C11H6ClF6NO3 and molecular weight 348.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butan-1-one
Also Known As: BUTYROPHENONE, 3-CHLORO-3'-NITRO-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-, 3-Chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethylbutyrophenone, 3-Chloro-1-(3-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-1-butanone, 3-chloro-4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butan-1-one, 1-Butanone, 3-chloro-4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)-?
| Molecular Formula | C11H6ClF6NO3 |
|---|---|
| Molecular Weight | 348.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.99405 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 100700-44-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC(C(F)(F)F)(C(F)(F)F)Cl |
| InChIKey | OOIROORZDLJFDN-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- (CAS 100700-44-5), with molecular formula C11H6ClF6NO3 and molecular weight 348.99 g/mol. IUPAC: 3-chloro-4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butan-1-one.
Chemical Property Profile of Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
Property Insights of Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
The XLogP value of 4.1 indicates that Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-. Following Lipinski's Rule of Five, Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- has 0 hydrogen bond donor(s) and 9 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 Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
The CAS number of Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is 100700-44-5.
What is the molecular formula of Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular formula of Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is C11H6ClF6NO3.
What is the molecular weight of Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular weight of Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is 348.99 g/mol.
Where can I buy Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
You can request a quote for Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.