| CAS Number | 659-72-3 |
| Catalog Number | AG003Q9G(AGN-PC-0NJXQ1) |
| Chemical Name | Ethyl 4,4-Difluorovalerate |
| IUPAC Name | ethyl 4,4-difluoropentanoate |
| InChI | InChI=1S/C7H12F2O2/c1-3-11-6(10)4-5-7(2,8)9/h3-5H2,1-2H3 |
| InChI Key | BMPDDDGLNXKZFD-UHFFFAOYSA-N |
| MDL Number | MFCD15144890 |
| Molecular Formula | C7H12F2O2 |
| Molecular Weight | 166.1658 |
| SMILES | CC(F)(F)CCC(OCC)=O |
| Synonyms | Ethyl 4,4-Difluorovalerate,
Ethyl 4,4-difluoropentanoate,
659-72-3,
ACMC-20akz0,
SCHEMBL15270397,
CTK8C5643,
DTXSID10507196,
MFCD15144890,
ZINC44831081,
Ethyl 4,4-difluorovalerate, >=95.0%,
DB-073683,
TC-166851,
FT-0702327,
Ethyl 4,4-Difluorovalerate, stabilized over potassium carbonate,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.168g/mol |
| Monoisotopic Mass | 166.081g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number