1-(2-Fluoroethyl)-3-[4-(propan-2-yl)cyclohexyl]urea
Basic information
- CAS
33021-80-6- Standard SMILES
CC(C)C1CCC(NC(=O)NCCF)CC1- InChIKey
QTCRSCUFBNDNDM-UHFFFAOYSA-N- Molecular formula
- C12H23FN2O
- Average molar mass
- 230.32 g/mol
- Monoisotopic mass
- 230.17944152
Names & identifiers
- Preferred name
- 1-(2-Fluoroethyl)-3-[4-(propan-2-yl)cyclohexyl]urea
- IUPAC
- 1-(2-fluoroethyl)-3-(4-propan-2-ylcyclohexyl)urea
Names & synonyms
33021-80-61-(2-fluoroethyl)-3-[4-(propan-2-yl)cyclohexyl]ureaNSC129976DTXSID60299392NSC-129976N-(2-Fluoroethyl)-N'-[4-(propan-2-yl)cyclohexyl]urea
Database identifiers
- CAS
33021-80-6- PubChem CID
- 279451
- DTXSID
DTXSID60299392
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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