3,3-Difluoro-1-(isopropoxycarbonyl)cyclobutanecarboxylic acid

Base Information

• Chemical Name: 3,3-Difluoro-1-(isopropoxycarbonyl)cyclobutanecarboxylic acid
• CAS No.: 1225532-90-0
• Molecular Formula: C9H12F2O4
• Molecular Weight: 222.19
• DSSTox Substance ID: DTXSID201188285
• Mol file: 1225532-90-0.mol

Synonyms:1225532-90-0;3,3-difluoro-1-(isopropoxycarbonyl)cyclobutanecarboxylic acid;3,3-DIFLUOROCYCLOBUTANE-1,1-DICARBOXYLIC 1-ISOPROPYL ESTER;3,3-difluoro-1-[(propan-2-yloxy)carbonyl]cyclobutane-1-carboxylic acid;3,3-difluoro-1-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid;3,3-difluoro-1-((propan-2-yloxy)carbonyl)cyclobutane-1-carboxylic acid;SCHEMBL14691755;DTXSID201188285;AZB53290;MFCD23105828;AKOS025290138;AM85509;PB38471;SB20198;AS-34480;CS-0045550;3,3-difluoro-1-(isopropoxycarbonyl)cyclobutanecarboxylicacid;1-(1-Methylethyl) 3,3-difluoro-1,1-cyclobutanedicarboxylate;1,1-Cyclobutanedicarboxylic acid, 3,3-difluoro-, 1-(1-methylethyl) ester

Chemical Property of 3,3-Difluoro-1-(isopropoxycarbonyl)cyclobutanecarboxylic acid

Chemical Property:

• PKA: 2.25±0.40(Predicted)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 222.07036518
• Heavy Atom Count: 15
• Complexity: 291

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,3-Difluorocyclobutane-1,1-dicarboxylic1-IsopropylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)C1(CC(C1)(F)F)C(=O)O