Basic information
- CAS
407-48-7- Standard SMILES
O=C(CCCCCBr)OCCF- InChIKey
VQHIYCJLLDFMMZ-UHFFFAOYSA-N- Molecular formula
- C8H14BrFO2
- Average molar mass
- 241.1 g/mol
- Monoisotopic mass
- 240.01612
Names & identifiers
- Preferred name
- Hexanoic acid, 6-bromo-, 2-fluoroethyl ester
- IUPAC
- 2-fluoroethyl 6-bromohexanoate
Names & synonyms
407-48-7HEXANOIC ACID, 6-BROMO-, 2'-(FLUOROETHYL) ESTERDTXSID90193677RefChem:1086642DTXCID30116168Hexanoic acid, 6-bromo-, 2-fluoroethyl ester2-fluoroethyl 6-bromohexanoate2-Fluoroethyl 5-bromopentanecarboxylateBRN 17646023-02-00-00737 (Beilstein Handbook Reference)
Database identifiers
- CAS
407-48-7- PubChem CID
- 9846
- DTXSID
DTXSID90193677- Nikkaji
- J49.407K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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