Acetic acid, fluoro-, 2-ethylpentyl ester
Basic information
- CAS
63905-87-3- Standard SMILES
CCCC(CC)COC(=O)CF- InChIKey
WCBSIOCKNZZQPC-UHFFFAOYSA-N- Molecular formula
- C9H17FO2
- Average molar mass
- 176.23 g/mol
- Monoisotopic mass
- 176.12125794
Names & identifiers
- Preferred name
- Acetic acid, fluoro-, 2-ethylpentyl ester
- IUPAC
- 2-ethylpentyl 2-fluoroacetate
- English name
- Fluoroacetic acid 2-ethylpentyl ester
- Molecular formula
- C9H17FO2
- Molecular weight
- 176.23
Names & synonyms
63905-87-3ACETIC ACID, FLUORO-, 2-ETHYLPENTYL ESTERRefChem:10758102-Ethylamyl fluoroacetate2-Ethylpentyl fluoroacetateDTXSID70980901Fluoroacetic acid 2-ethylpentyl esterAcetic acid, 2-fluoro-, 2-ethylpentyl ester
Database identifiers
- CAS
63905-87-3- PubChem CID
- 45135
- DTXSID
DTXSID70980901- Nikkaji
- J86.207J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
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Compound notes
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