Basic information
- CAS
591-69-5- Standard SMILES
O=C(CCCCCF)OCCF- InChIKey
PGJLRGDGBHMBSQ-UHFFFAOYSA-N- Molecular formula
- C8H14F2O2
- Average molar mass
- 180.19 g/mol
- Monoisotopic mass
- 180.09618601
Names & identifiers
- Preferred name
- 2-Fluoroethyl 6-fluorohexanoate
- IUPAC
- 2-fluoroethyl 6-fluorohexanoate
- English name
- 6-Fluorohexanoic acid 2-fluoroethyl ester
- Molecular formula
- C8H14F2O2
- Molecular weight
- 180.19
Names & synonyms
2-Fluoroethyl 6-fluorohexanoate591-69-5Hexanoic acid, 6-fluoro-, 2-fluoroethyl ester2-Fluoroethyl 5-fluoropentanecarboxylateBRN 1764600DTXSID302078436-Fluorohexanoic acid 2-fluoroethyl ester
Database identifiers
- CAS
591-69-5- PubChem CID
- 11580
- DTXSID
DTXSID30207843- Nikkaji
- J49.421F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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