Decanoic acid, 10-fluoro-, 2-fluoroethyl ester
Basic information
- CAS
591-74-2- Standard SMILES
O=C(CCCCCCCCCF)OCCF- InChIKey
ZUHZQTHCYZBUHF-UHFFFAOYSA-N- Molecular formula
- C12H22F2O2
- Average molar mass
- 236.3 g/mol
- Monoisotopic mass
- 236.15878626
Names & identifiers
- Preferred name
- Decanoic acid, 10-fluoro-, 2-fluoroethyl ester
- IUPAC
- 2-fluoroethyl 10-fluorodecanoate
- English name
- 10-Fluorodecanoic acid 2-fluoroethyl ester
- Molecular formula
- C12H22F2O2
- Molecular weight
- 236.3
Names & synonyms
2'-Fluoroethyl 10-fluorodecanoateDecanoic acid, 10-fluoro-, 2-fluoroethyl ester2'-Fluoroethyl omega-fluorodecanoate591-74-2BRN 1778536DTXSID502078453-02-00-00846 (Beilstein Handbook Reference)RefChem:336735DTXCID001303362-fluoroethyl 10-fluorodecanoate10-Fluorodecanoic acid 2-fluoroethyl ester
Database identifiers
- CAS
591-74-2- PubChem CID
- 11581
- DTXSID
DTXSID50207845- Nikkaji
- J34.878C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 277.7 · 277.7±15.0 °C(Predicted)
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
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Compound notes
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