Basic information
- CAS
333-33-5- Standard SMILES
CC(C)(CCCCF)CCC(=O)O- InChIKey
LLJMYCREEQNSLU-UHFFFAOYSA-N- Molecular formula
- C10H19FO2
- Average molar mass
- 190.25 g/mol
- Monoisotopic mass
- 190.13690801
Names & identifiers
- Preferred name
- Octanoic acid, 3,3-dimethyl-8-fluoro-
- IUPAC
- 8-fluoro-4,4-dimethyloctanoic acid
Names & synonyms
OCTANOIC ACID, 3,3-DIMETHYL-8-FLUORO-BRN 1767746DTXSID701869214-02-00-01063 (Beilstein Handbook Reference)RefChem:366870DTXCID10109412333-33-58-fluoro-4,4-dimethyloctanoic acid8-Fluoro-3,3-dimethyloctanoic acid
Database identifiers
- CAS
333-33-5- PubChem CID
- 9527
- DTXSID
DTXSID70186921
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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