Basic information
- CAS
33024-38-3- Standard SMILES
CC(C)C1CCC(NC(=O)N(CCF)N=O)CC1- InChIKey
PPHTXWDQYFRGKI-UHFFFAOYSA-N- Molecular formula
- C12H22FN3O2
- Average molar mass
- 259.32 g/mol
- Monoisotopic mass
- 259.16960512
Names & identifiers
- Preferred name
- Urea, 1-(2-fluoroethyl)-3-(4-isopropylcyclohexyl)-1-nitroso-
- IUPAC
- 1-(2-fluoroethyl)-1-nitroso-3-(4-propan-2-ylcyclohexyl)urea
- English name
- N-(2-Fluoroethyl)-N'-(4-isopropylcyclohexyl)-N-nitrosourea
- Molecular weight
- 0
Names & synonyms
33024-38-31-(2-Fluoroethyl)-3-(4-isopropylcyclohexyl)-1-nitrosoureaUrea, 1-(2-fluoroethyl)-3-(4-isopropylcyclohexyl)-1-nitroso-837KPL3LJJDTXSID30186684NSC-132,086Urea, N-(2-fluoroethyl)-N'-(4-(1-methylethyl)cyclohexyl)-N-nitroso-Urea, N-(2-fluoroethyl)-N'-[4-(1-methylethyl)cyclohexyl]-N-nitroso-RefChem:1100746DTXCID70109175AllomatridineBRN 2138044
Show more names
N-(2-fluoroethyl)-N'-(4-isopropylcyclohexyl)-N-nitrosoureaNSC 132,0861-(2-fluoroethyl)-1-nitroso-3-(4-propan-2-ylcyclohexyl)ureaNSC132086NSC-132086trans-1-(2-Fluoroethyl)-3-(4-isopropylcyclohexyl)-1-nitrosoureaCHEMBL12819CHEMBL3276035
Database identifiers
- CAS
33024-38-3、61137-58-4- PubChem CID
- 97554
- DTXSID
DTXSID30186684- ChEMBL
CHEMBL12819、CHEMBL3276035- UNII
- 837KPL3LJJ
- Nikkaji
- J54.441H、J87.726C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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