Basic information
- CAS
55700-97-5- Standard SMILES
CC1(C)[C@@H](C=C(F)F)[C@@H]1C(=O)OCc1coc(Cc2ccccc2)c1- InChIKey
OCIBCNHLIPIOMR-FUHWJXTLSA-N- Molecular formula
- C20H20F2O3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.13805082
Names & identifiers
- Preferred name
- Nrdc 173
- IUPAC
- cis-(5-benzylfuran-3-yl)methyl (1S,3R)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
- English name
- (1R,3S)-3-(2,2-Difluoroethenyl)-2,2-dimethylcyclopropanecarboxylic acid [5-(phenylmethyl)furan-3-yl]methyl ester
- Molecular formula
- C20H20F2O3
- Molecular weight
- 346.37
Names & synonyms
NRDC 17355700-97-5RefChem:1093328Cyclopropanecarboxylic acid, 3-(2,2-difluoroethenyl)-2,2-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1R-trans)-DTXSID50971074(5-benzylfuran-3-yl)methyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylateOCIBCNHLIPIOMR-FUHWJXTLSA-N(5-Benzylfuran-3-yl)methyl (1S,3R)-3-(2,2-difluoroethen-1-yl)-2,2-dimethylcyclopropane-1-carboxylateNRDC-173(1R,3S)-3-(2,2-Difluoroethenyl)-2,2-dimethylcyclopropanecarboxylic acid [5-(phenylmethyl)furan-3-yl]methyl esterCyclopropanecarboxylic acid, 3-(2,2-difluoroethenyl)-2,2-dimethyl-, [5-(phenylmethyl)-3-furanyl]methyl ester, (1R,3S)-
Database identifiers
- CAS
55700-97-5- PubChem CID
- 41537
- DTXSID
DTXSID50971074
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…