Basic information
- CAS
63867-20-9- Standard SMILES
CCC(F)C(=O)OC(C)C- InChIKey
SIKPUIVEAYEIBW-UHFFFAOYSA-N- Molecular formula
- C7H13FO2
- Average molar mass
- 148.18 g/mol
- Monoisotopic mass
- 148.08995782
Names & identifiers
- Preferred name
- Butyric acid, 2-fluoro-, isopropyl ester
- IUPAC
- propan-2-yl 2-fluorobutanoate
- English name
- 2-Fluorobutyric acid isopropyl ester
- Molecular formula
- C7H13FO2
- Molecular weight
- 148.18
Names & synonyms
63867-20-9BUTYRIC ACID, 2-FLUORO-, ISOPROPYL ESTERRefChem:1080464Isopropyl 2-fluorobutyratepropan-2-yl 2-fluorobutanoateDTXSID709805072-Fluorobutyric acid isopropyl esterButanoic acid, 2-fluoro-, 1-methylethyl ester
Database identifiers
- CAS
63867-20-9- PubChem CID
- 44853
- DTXSID
DTXSID70980507- Nikkaji
- J67.383H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Density
- 1.0018 · 1.0018 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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