| CAS Number | 764-64-7 |
| Catalog Number | AG005XW1(AGN-PC-09RN3W) |
| Chemical Name | 6,6,6-Trifluorohexanoic acid |
| IUPAC Name | 6,6,6-trifluorohexanoic acid |
| InChI | InChI=1S/C6H9F3O2/c7-6(8,9)4-2-1-3-5(10)11/h1-4H2,(H,10,11) |
| InChI Key | JJLBUHXIKHYZIX-UHFFFAOYSA-N |
| MDL Number | MFCD02262194 |
| Molecular Formula | C6H9F3O2 |
| Molecular Weight | 170.1297 |
| SMILES | FC(CCCCC(=O)O)(F)F |
| Synonyms | 6,6,6-TRIFLUOROHEXANOIC ACID,
764-64-7,
SCHEMBL866445,
CTK5E2974,
DTXSID50694958,
JJLBUHXIKHYZIX-UHFFFAOYSA-N,
ZINC2581446,
AKOS006276328,
A1-09271,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.131g/mol |
| Monoisotopic Mass | 170.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number