Basic information
- CAS
542-51-8- Standard SMILES
O=C(NCCCCF)NCCCCF- InChIKey
MAAYIFAKYKANLE-UHFFFAOYSA-N- Molecular formula
- C9H18F2N2O
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.13871953
Names & identifiers
- Preferred name
- N,N'-Bis(4-fluorobutyl)urea
- IUPAC
- 1,3-bis(4-fluorobutyl)urea
- English name
- 1,3-Bis(4-fluorobutyl)urea
- Molecular formula
- C9H18F2N2O
- Molecular weight
- 208.25
Names & synonyms
542-51-8Urea, 1,3-bis(4-fluorobutyl)-N,N'-Bis(4-fluorobutyl)ureaDTXSID30202555RefChem:1090263DTXCID601250461,3-bis(4-fluorobutyl)ureaN,N'-Bis-4-fluorobutylureaBRN 1775479Urea, N,N'-bis(4-fluorobutyl)-
Database identifiers
- CAS
542-51-8- PubChem CID
- 68332
- DTXSID
DTXSID30202555- Nikkaji
- J49.089J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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