| CAS Number | 1466514-76-0 |
| Catalog Number | AG00HXIF |
| Chemical Name | tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C9H15F2NO2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h4-6H2,1-3H3 |
| InChI Key | LIRXHHZHOTUWNP-UHFFFAOYSA-N |
| MDL Number | MFCD28133687 |
| Molecular Formula | C9H15F2NO2 |
| Molecular Weight | 207.2177 |
| SMILES | CC(OC(N1CC(CF)(F)C1)=O)(C)C |
| Synonyms | tert-Butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate,
1466514-76-0,
SCHEMBL15335051,
MFCD28133687,
ZINC221761175,
SB22121,
AS-42994,
CS-0048296,
t-Butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.221g/mol |
| Monoisotopic Mass | 207.107g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number