Basic information
- CAS
406-20-2- Standard SMILES
COC(=O)CCCF- InChIKey
ZVGDFKFLRMGSFF-UHFFFAOYSA-N- Molecular formula
- C5H9FO2
- Average molar mass
- 120.12 g/mol
- Monoisotopic mass
- 120.05865769
Names & identifiers
- Preferred name
- Butyric acid, 4-fluoro-, methyl ester
- IUPAC
- methyl 4-fluorobutanoate
- English name
- 4-Fluorobutyric acid methyl ester
- Molecular formula
- C5H9FO2
- Molecular weight
- 120.12
Names & synonyms
406-20-2BUTYRIC ACID, 4-FLUORO-, METHYL ESTERDTXSID80193606RefChem:1080493DTXCID80116097methyl 4-fluorobutanoate4-Fluorobutyric acid methyl esterMethyl 4-fluorobutyrateMethyl gamma-fluorobutyrateMethylester kyseliny 4-fluormaselne [Czech]TL 1095BRN 1744847
Show more names
Butanoic acid, 4-fluoro-, methyl ester
Methylester kyseliny 4-fluormaselneSCHEMBL1515544SCHEMBL28157761AKOS006277681
Database identifiers
- CAS
406-20-2- PubChem CID
- 9841
- DTXSID
DTXSID80193606- Nikkaji
- J42.916C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Density
- 1.0438 · 1.0438 (estimate)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
陕西麟邦实业有限公司17709134430 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…