Butyric acid, 4-fluoro-, isopropyl ester
Basic information
- CAS
63904-97-2- Standard SMILES
CC(C)OC(=O)CCCF- InChIKey
FKRKAHYJNPEEPP-UHFFFAOYSA-N- Molecular formula
- C7H13FO2
- Average molar mass
- 148.18 g/mol
- Monoisotopic mass
- 148.08995782
Names & identifiers
- Preferred name
- Butyric acid, 4-fluoro-, isopropyl ester
- IUPAC
- propan-2-yl 4-fluorobutanoate
- English name
- 4-Fluorobutyric acid isopropyl ester
- Molecular formula
- C7H13FO2
- Molecular weight
- 148.18
Names & synonyms
Isopropyl gamma-fluorobutyrate63904-97-2TL 1142BUTYRIC ACID, 4-FLUORO-, ISOPROPYL ESTERDTXSID60213533RefChem:331330DTXCID90136024propan-2-yl 4-fluorobutanoate4-fluorobutyric acid isopropyl esterDB-316602TL-1142Butanoic acid, 4-fluoro-, 1-methylethyl ester
Database identifiers
- CAS
63904-97-2- PubChem CID
- 45063
- DTXSID
DTXSID60213533- Nikkaji
- J67.384F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Density
- 1.0018 · 1.0018 (estimate)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…