Ethyl 2-(2,2-Difluorocyclohexyl) Acetate - CAS 1035559-58-0
Catalog: |
BB065762 |
Product Name: |
Ethyl 2-(2,2-Difluorocyclohexyl) Acetate |
CAS: |
1035559-58-0 |
Synonyms: |
ethyl 2-(2,2-difluorocyclohexyl)acetate; Ethyl 2-(2,2-difluorocyclohexyl) acetate; 2,2-Difluorocyclohexaneacetic acid ethyl ester |
IUPAC Name: | ethyl 2-(2,2-difluorocyclohexyl)acetate |
Molecular Weight: | 206.23 |
Molecular Formula: | C10H16F2O2 |
Canonical SMILES: | CCOC(=O)CC1CCCCC1(F)F |
InChI: | InChI=1S/C10H16F2O2/c1-2-14-9(13)7-8-5-3-4-6-10(8,11)12/h8H,2-7H2,1H3 |
InChI Key: | METPEYIWWISPRR-UHFFFAOYSA-N |
References: | Cohen, O., et al. Tetrahedron, 64, 5362 (2008). |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.11183607 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.11183607 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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