Basic information
- CAS
63765-78-6- Standard SMILES
CC(F)CCCC(=O)OCCF- InChIKey
GTOZSKMMLOMDHE-UHFFFAOYSA-N- Molecular formula
- C8H14F2O2
- Average molar mass
- 180.19 g/mol
- Monoisotopic mass
- 180.09618601
Names & identifiers
- Preferred name
- 2-Fluoroethyl 5-fluorohexanoate
- IUPAC
- 2-fluoroethyl 5-fluorohexanoate
- English name
- 5-Fluorohexanoic acid 2-fluoroethyl ester
- Molecular formula
- C8H14F2O2
- Molecular weight
- 180.19
Names & synonyms
2-fluoroethyl 5-fluorohexanoate63765-78-6DTXSID00980297RefChem:1063116DTXCID9014075752-Fluoroethyl 5-fluorohexoateHEXANOIC ACID, 5-FLUORO-, 2-FLUOROETHYL ESTER5-Fluorohexanoic acid 2-fluoroethyl esterSCHEMBL28421831DB-296084
Database identifiers
- CAS
63765-78-6- PubChem CID
- 44672
- DTXSID
DTXSID00980297- Nikkaji
- J73.715A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 191.6 · 191.6±20.0 °C(Predicted)
- Density
- 1.0619 · 1.0619 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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