Cyclopropanecarboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,2-difluoro-, (3-phenoxyphenyl)methyl ester
Basic information
- CAS
101492-31-3- Standard SMILES
O=C(OCc1cccc(Oc2ccccc2)c1)C1(c2ccc3c(c2)OCO3)CC1(F)F- InChIKey
LYDQMQFTYIEPMQ-UHFFFAOYSA-N- Molecular formula
- C24H18F2O5
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.11222999
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,2-difluoro-, (3-phenoxyphenyl)methyl ester
- IUPAC
- (3-phenoxyphenyl)methyl 1-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropane-1-carboxylate
Names & synonyms
101492-31-3Cyclopropanecarboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,2-difluoro-, (3-phenoxyphenyl)methyl esterDTXSID40906259(3-Phenoxyphenyl)methyl 1-(2H-1,3-benzodioxol-5-yl)-2,2-difluorocyclopropane-1-carboxylate
Database identifiers
- CAS
101492-31-3- PubChem CID
- 180993
- DTXSID
DTXSID40906259
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 652
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Compound notes
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