1-(2-Fluoroethyl)-3-methylurea

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Basic information

CAS: 13907-91-0
Standard SMILES: CNC(=O)NCCF
InChIKey: MFXZOMNMWJPMMG-UHFFFAOYSA-N
Molecular formula: C4H9FN2O
Average molar mass: 120.13 g/mol
Monoisotopic mass: 120.06989108

Names & identifiers

Preferred name: 1-(2-Fluoroethyl)-3-methylurea
IUPAC: 1-(2-fluoroethyl)-3-methylurea

Names & synonyms

13907-91-01-(2-fluoroethyl)-3-methylureaNSC87976SCHEMBL2632914DTXSID10293229N-(2-Fluoroethyl)-N'-methylureaNSC-87976AKOS006358988Urea, 1-(2-fluoroethyl)-3-methyl-

Database identifiers

CAS: 13907-91-0
PubChem CID: 258704
DTXSID: DTXSID10293229

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 76.4

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Compound notes

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