TL;DR: Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, trans- (CAS 101492-46-0) is a chemical compound with molecular formula C14H16ClFO3 and molecular weight 286.0772 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-ethyl (1R,2S)-2-chloro-1-(4-ethoxyphenyl)-2-fluorocyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, trans-, ethyl (1R,2S)-2-chloro-1-(4-ethoxyphenyl)-2-fluorocyclopropane-1-carboxylate, Cyclopropanecarboxylicacid,2,2-dichloro-1-(3-nitrophenyl)-,(+), Ethyl (1S,2R)-2-chloro-1-(4-ethoxyphenyl)-2-fluoro-cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, (1R,2S)-rel-
| Molecular Formula | C14H16ClFO3 |
| Molecular Weight | 286.0772 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.0772 Da |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
| SMILES | CCOC1=CC=C(C=C1)[C@]2(C[C@]2(F)Cl)C(=O)OCC |
| InChIKey | AKJPWYUZNJADCA-ZIAGYGMSSA-N |
The XLogP value of 3.3 indicates that Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, trans- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, trans- is 101492-46-0.
The molecular formula of Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, trans- is C14H16ClFO3.
The molecular weight of Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, trans- is 286.0772 g/mol.
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