N-(But-3-en-1-yl)-3-fluoroaniline
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Basic information
- CAS
326898-20-8- Standard SMILES
C=CCCNc1cccc(F)c1- InChIKey
IFMXBJAWXJVUCH-UHFFFAOYSA-N- Molecular formula
- C10H12FN
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.09537755
Names & identifiers
- Preferred name
- N-(But-3-en-1-yl)-3-fluoroaniline
- IUPAC
- N-but-3-enyl-3-fluoroaniline
- English name
- Benzenamine, N-3-butenyl-3-fluoro- (9CI)
- Molecular formula
- C10H12FN
- Molecular weight
- 165.21
Names & synonyms
326898-20-8N-(But-3-en-1-yl)-3-fluoroanilineN-(3-Buten-1-yl)-3-fluoroanilineDTXSID40666604AKOS013637058Benzenamine, N-3-buten-1-yl-3-fluoro-Benzenamine, N-3-butenyl-3-fluoro- (9CI)
Database identifiers
- CAS
326898-20-8- PubChem CID
- 45090366
- DTXSID
DTXSID40666604
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 251.7 · 251.7±33.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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