Acetic acid, fluoro-, (2-ethylhexyl) ester
Basic information
- CAS
331-87-3- Standard SMILES
CCCCC(CC)COC(=O)CF- InChIKey
FDEKGWKFHSSZFD-UHFFFAOYSA-N- Molecular formula
- C10H19FO2
- Average molar mass
- 190.25 g/mol
- Monoisotopic mass
- 190.13690801
Names & identifiers
- Preferred name
- Acetic acid, fluoro-, (2-ethylhexyl) ester
- IUPAC
- 2-ethylhexyl 2-fluoroacetate
- English name
- Fluoroacetic acid 2-ethylhexyl ester
- Molecular weight
- 0
Names & synonyms
331-87-3ACETIC ACID, FLUORO-, (2-ETHYLHEXYL) ESTERRefChem:1075809Fluoroacetic acid 2-ethylhexyl esterBRN 17665632-Ethylhexyl fluoroacetate4-02-00-00451 (Beilstein Handbook Reference)DTXSID80954734FDEKGWKFHSSZFD-UHFFFAOYSA-N
Database identifiers
- CAS
331-87-3- PubChem CID
- 9511
- DTXSID
DTXSID80954734- Nikkaji
- J54.219I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Density
- 0.9651 · 0.9651 (estimate)
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Related reactions
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Compound notes
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