Urea, 1-(4-fluorobutyl)-3-phenyl-
Basic information
- CAS
331-10-2- Standard SMILES
O=C(NCCCCF)Nc1ccccc1- InChIKey
XBTMHQDIEHDASS-UHFFFAOYSA-N- Molecular formula
- C11H15FN2O
- Average molar mass
- 210.25 g/mol
- Monoisotopic mass
- 210.11684127
Names & identifiers
- Preferred name
- Urea, 1-(4-fluorobutyl)-3-phenyl-
- IUPAC
- 1-(4-fluorobutyl)-3-phenylurea
- English name
- 1-(4-Fluorobutyl)-3-phenylurea
- Molecular formula
- C11H15FN2O
- Molecular weight
- 210.25
Names & synonyms
1-(4-Fluorobutyl)-3-phenylureaN-4-Fluorobutyl-N'-phenylureaUrea, 1-(4-fluorobutyl)-3-phenyl-331-10-2DTXSID30186765RefChem:387473DTXCID70109256N-(4-Fluorobutyl)-N'-phenylureaUrea, N-(4-fluorobutyl)-N'-phenyl-
Database identifiers
- CAS
331-10-2- PubChem CID
- 67616
- DTXSID
DTXSID30186765- Nikkaji
- J48.933F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 117.5 · 117.5-118 °C
- Boiling point
- 305.1 · 305.1±38.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 12.51 · 12.51±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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