Basic information
- CAS
4242-33-5- Standard SMILES
O=C(OCCF)C(c1ccccc1)c1ccccc1- InChIKey
MVNYQVCSSLUAPE-UHFFFAOYSA-N- Molecular formula
- C16H15FO2
- Average molar mass
- 258.29 g/mol
- Monoisotopic mass
- 258.10560788
Names & identifiers
- Preferred name
- 2-Fluoroethyl diphenylacetate
- IUPAC
- 2-fluoroethyl 2,2-diphenylacetate
- English name
- Diphenylacetic acid 2-fluoroethyl ester
- Molecular formula
- C16H15FO2
- Molecular weight
- 258.29
Names & synonyms
4242-33-52-fluoroethyl diphenylacetateDTXSID10962468RefChem:1063117DTXCID7013902732-Fluoroethyldiphenyl acetatediphenylacetic acid 2-fluoroethyl esterACETIC ACID, DIPHENYL-, 2-FLUOROETHYL ESTER2-FLUOROETHYLDIPHENYLACETATEAcetic acid, diphenyl-, 2-fluoroethyl ester (7CI,8CI)
Database identifiers
- CAS
4242-33-5- PubChem CID
- 20233
- DTXSID
DTXSID10962468- Nikkaji
- J54.925H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 60.6 °C · 60.6°C
- Boiling point
- 352.8 · 352.8±32.0 °C(Predicted)
- Density
- 1.1556 · 1.1556 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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