Basic information
- CAS
13908-93-5- Standard SMILES
O=NN(CCF)C(=O)NC1CCCCC1- InChIKey
SIJUHDYJDHLNLY-UHFFFAOYSA-N- Molecular formula
- C9H16FN3O2
- Average molar mass
- 217.24 g/mol
- Monoisotopic mass
- 217.12265492
Overview
fluoro analog
Names & identifiers
- Preferred name
- N'-Cyclohexyl-N-(2-fluoroethyl)-N-nitrosourea
- IUPAC
- 3-cyclohexyl-1-(2-fluoroethyl)-1-nitrosourea
- English name
- 1-(2-fluoroethyl)-3-cyclohexyl-1-nitrosourea
- Molecular weight
- 0
Names & synonyms
FCNU13908-93-51-(2-Fluoroethyl)-3-cyclohexyl-1-nitrosourea1-Fluoroethyl-3-cyclohexyl-1-nitrosoureaN'-Cyclohexyl-N-(2-fluoroethyl)-N-nitrosoureaUrea, 3-cyclohexyl-1-(2-fluoroethyl)-1-nitroso-AI3-52782Urea, N'-cyclohexyl-N-(2-fluoroethyl)-N-nitroso-DTXSID80160898RefChem:74151DTXCID0083389CFNU
Show more names
1-Cyclohexyl-3-(2-fluoroethyl)-3-nitrosourea
3-Cyclohexyl-1-(2-fluoroethyl)-1-nitrosoureaCyclohexyl fluoroethyl nitrosoureaSRI 2619NSC 87,974NSC-87974L42GM59SUTBRN 2853014UNII-L42GM59SUT
Database identifiers
- CAS
13908-93-5- PubChem CID
- 83807
- DTXSID
DTXSID80160898- ChEMBL
CHEMBL13072- UNII
- L42GM59SUT
- Nikkaji
- J54.433G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Density
- 1.1497 · 1.1497 (estimate)
- FDA UNII
- 42 GM59SUT · L42GM59SUT
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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