Na[2a(4aIodoa2,5adimethoxyphenyl)ethyl]perfluorobutanamide
Basic information
- Standard SMILES
COc1cc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(OC)cc1I- InChIKey
CCGQQGXFWOPZRE-UHFFFAOYSA-N- Molecular formula
- C14H13F7INO3
- Average molar mass
- 503.15 g/mol
- Monoisotopic mass
- 502.98284
Names & identifiers
- Preferred name
- Na[2a(4aIodoa2,5adimethoxyphenyl)ethyl]perfluorobutanamide
- IUPAC
- 2,2,3,3,4,4,4-heptafluoro-N-[2-(4-iodo-2,5-dimethoxyphenyl)ethyl]butanamide
Names & synonyms
DTXSID801344966Na[2a(4aIodoa2,5adimethoxyphenyl)ethyl]perfluorobutanamide
Database identifiers
- PubChem CID
- 165362000
- DTXSID
DTXSID801344966
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
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Related reactions
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Compound notes
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