Basic information
- CAS
329-67-9- Standard SMILES
Cl.O=C(OCCCN1CCCCC1)c1ccc(F)c(I)c1- InChIKey
YAVUZDCXTCRATB-UHFFFAOYSA-N- Molecular formula
- C15H20ClFINO2
- Average molar mass
- 427.68 g/mol
- Monoisotopic mass
- 427.02113
Names & identifiers
- Preferred name
- Piperidinopropyl 3-iodo-4-fluorobenzoate HCl
- IUPAC
- 3-piperidin-1-ylpropyl 4-fluoro-3-iodobenzoate;hydrochloride
Names & synonyms
329-67-94-Fluoro-3-iodobenzoic acid 3-piperidinopropyl ester hydrochloridePiperidinopropyl 3-iodo-4-fluorobenzoate HClHydrochloride of the piperidinopropyl 3-iodo-4-fluorobenzoateDTXSID90186549BENZOIC ACID, 4-FLUORO-3-IODO-, 3-PIPERIDINOPROPYL ESTER, HYDROCHLORIDERefChem:373527DTXCID801090403-(Piperidin-1-yl)propyl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
329-67-9- PubChem CID
- 9490
- DTXSID
DTXSID90186549
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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