Ethyl 1-Trifluoromethylcyclopropanecarboxylate - CAS 139229-57-5
Catalog: |
BB063337 |
Product Name: |
Ethyl 1-Trifluoromethylcyclopropanecarboxylate |
CAS: |
139229-57-5 |
Synonyms: |
Ethyl 1-(trifluoromethyl)cyclopropanecarboxylate; Ethyl 1-(trifluoromethyl)cyclopropane-1-carboxylate; Cyclopropanecarboxylic acid, 1-(trifluoromethyl)-, ethyl ester; Ethyl 1-Trifluoromethylcyclopropanecarboxylate; Ethyl1-(trifluoromethyl)cyclopropanecarboxylate |
IUPAC Name: | ethyl 1-(trifluoromethyl)cyclopropane-1-carboxylate |
Molecular Weight: | 182.14 |
Molecular Formula: | C7H9F3O2 |
Canonical SMILES: | CCOC(=O)C1(CC1)C(F)(F)F |
InChI: | InChI=1S/C7H9F3O2/c1-2-12-5(11)6(3-4-6)7(8,9)10/h2-4H2,1H3 |
InChI Key: | XKNRIQDQYMPZKZ-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.05546401 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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