Basic information
- Standard SMILES
CCOP(=O)(OCC)C(F)(F)C(O)CC(C)(C)c1cc(F)ccc1OC- InChIKey
AXUAVRFRVYRZNM-UHFFFAOYSA-N- Molecular formula
- C17H26F3O5P
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.14699541
Names & identifiers
- Preferred name
- [1,1-Difluoro-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]phosphonic acid diethyl ester
- IUPAC
- 1-diethoxyphosphoryl-1,1-difluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
Names & synonyms
[1,1-difluoro-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]phosphonic acid diethyl esterSCHEMBL4481369
Database identifiers
- PubChem CID
- 57809776
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 479
Related reactions
4 records
Compound notes
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