Nrdc 174
Basic information
- CAS
55667-39-5- Standard SMILES
CC1(C)[C@H](C=C(F)F)[C@@H]1C(=O)OCc1coc(Cc2ccccc2)c1- InChIKey
OCIBCNHLIPIOMR-SJLPKXTDSA-N- Molecular formula
- C20H20F2O3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.13805082
Names & identifiers
- Preferred name
- Nrdc 174
- IUPAC
- trans-(5-benzylfuran-3-yl)methyl (1S,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
NRDC 17455667-39-5Cyclopropanecarboxylic acid, 3-(2,2-difluoroethenyl)-2,2-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1R-cis)-DTXSID00204187RefChem:365926DTXCID00126678OCIBCNHLIPIOMR-SJLPKXTDSA-N(5-Benzylfuran-3-yl)methyl (1S,3S)-3-(2,2-difluoroethen-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
Database identifiers
- CAS
55667-39-5- PubChem CID
- 41506
- DTXSID
DTXSID00204187
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 507
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…