Basic information
- CAS
589-79-7- Standard SMILES
CCOC(=O)CCCCCF- InChIKey
ARWCSVYFRYFFPQ-UHFFFAOYSA-N- Molecular formula
- C8H15FO2
- Average molar mass
- 162.2 g/mol
- Monoisotopic mass
- 162.10560788
Names & identifiers
- Preferred name
- Ethyl 6-fluorohexanoate
- IUPAC
- ethyl 6-fluorohexanoate
- English name
- Ethyl 6-fluorohexanoate
- Molecular formula
- C8H15FO2
- Molecular weight
- 162.2
Names & synonyms
Ethyl 6-fluorohexanoate589-79-7Ethyl omega-fluorohexanoateEthyl 5-fluoropentanecarboxylate2'-Fluoroethyl 6-fluorohexanoateBRN 1756049HEXANOIC ACID, 6-FLUORO-, ETHYL ESTERDTXSID602076394-02-00-00932 (Beilstein Handbook Reference)RefChem:344562DTXCID60130130starbld0033411
Show more names
Ethyl-ω-fluorohexanoate6-Fluorohexanoic acid ethyl ester
SCHEMBL23359123AKOS006279920
Database identifiers
- CAS
589-79-7- PubChem CID
- 11518
- DTXSID
DTXSID60207639- Nikkaji
- J49.419D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 82 · 82-84 °C(Press: 14 Torr)
- Density
- 0.9871 · 0.9871 (estimate)
Chemistry & industry
Suppliers2 total
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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