3-Trifluoromethylheptanoic acid

Base Information

• Chemical Name: 3-Trifluoromethylheptanoic acid
• CAS No.: 115619-31-3
• Molecular Formula: C₈H₁₃F₃O₂
• Molecular Weight: 198.185
• DSSTox Substance ID: DTXSID601298701

Synonyms:3-trifluoromethylheptanoic acid;SCHEMBL8433897;3-(trifluoromethyl)heptanoic acid;DTXSID601298701;(+)-3-trifluoromethyl-1-heptanoic acid;115619-31-3

Chemical Property of 3-Trifluoromethylheptanoic acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 198.08676414
• Heavy Atom Count: 13
• Complexity: 165

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCC(CC(=O)O)C(F)(F)F

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