Basic information
- CAS
589-61-7- Standard SMILES
CC(CCCCCCCCF)CC(=O)O- InChIKey
BGBAWZHPUAYDOO-UHFFFAOYSA-N- Molecular formula
- C12H23FO2
- Average molar mass
- 218.31 g/mol
- Monoisotopic mass
- 218.16820813
Names & identifiers
- Preferred name
- 11-Fluoro-3-methylundecanoic acid
- IUPAC
- 11-fluoro-3-methylundecanoic acid
- English name
- 11-Fluoro-3-methylundecanoic acid
- Molecular formula
- C12H23FO2
- Molecular weight
- 218.31
Names & synonyms
11-Fluoro-3-methylundecanoic acid589-61-7DTXSID90974403RefChem:1057357DTXCID801401831BRN 1774928Undecanoic acid, 11-fluoro-3-methyl-4-02-00-01111 (Beilstein Handbook Reference)
Database identifiers
- CAS
589-61-7- PubChem CID
- 102445
- DTXSID
DTXSID90974403- Nikkaji
- J49.010E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 152 · 152-153 °C(Press: 2.7 Torr)
- Density
- 0.961 · 0.961±0.06 g/cm3(Predicted)
- pka
- 4.8 · 4.80±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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