3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Base Information

• Chemical Name: 3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
• CAS No.: 224584-18-3
• Molecular Formula: C7H7F3O2
• Molecular Weight: 180.127
• European Community (EC) Number: 828-504-3
• DSSTox Substance ID: DTXSID801193672
• Nikkaji Number: J1.123.366J
• Mol file: 224584-18-3.mol

Synonyms:224584-18-3;3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(trifluoromethyl)-;MFCD20544759;3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylicacid;SCHEMBL17582356;CGISBZCYXGUFNK-UHFFFAOYSA-N;DTXSID801193672;ZIA58418;Bicyclo[1.1.1]?pentane-?1-?carboxylic acid, 3-?(trifluoromethyl)?-;AKOS022191639;SB22182;AS-53871;SY059052;CS-0049792;EN300-53511;P17224;EN300-27713412;Z802560076;3-(Trifluoromethyl)-bicyclo[1.1.1]pentane-1-carboxylic acid;Bicyclo[1.1.1]entane-1-arboxylic acid, 3-(trifluoromethyl)-

Chemical Property of 3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 180.03981395
• Heavy Atom Count: 12
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1C2(CC1(C2)C(F)(F)F)C(=O)O

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