Basic information
- CAS
614-50-6- Standard SMILES
O=C(OCCCF)c1ccccc1- InChIKey
FWFWAWNZMBTGHN-UHFFFAOYSA-N- Molecular formula
- C10H11FO2
- Average molar mass
- 182.19 g/mol
- Monoisotopic mass
- 182.07430775
Names & identifiers
- Preferred name
- Benzoic acid, 3-fluoropropyl ester
- IUPAC
- 3-fluoropropyl benzoate
- English name
- 3-Fluoropropyl=benzoate
- Molecular formula
- C10H11FO2
- Molecular weight
- 182.19
Names & synonyms
3-Fluoropropyl benzoate614-50-6BENZOIC ACID, 3-FLUOROPROPYL ESTERDTXSID40210323RefChem:327219DTXCID401328143-Fluoropropyl=benzoateSCHEMBL174599021-Propanol, 3-fluoro-, 1-benzoatebenzoic acid-(3-fluoro-propyl ester)
Database identifiers
- CAS
614-50-6- PubChem CID
- 11967
- DTXSID
DTXSID40210323- Nikkaji
- J42.050F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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