chempirical

N-(2-Fluoro-6-(trifluoromethyl)benzyl)urea

C9H8F4N2OCAS 830346-46-8236.17 g/mol

Open in Covalent MOL file
FHNONH2FFF
Alkyl halideAryl halideUrea

Properties

Molecular formula
C9H8F4N2O
Molar mass
236.17 g/mol
Exact mass
236.0573 Da
logP
2.01Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
830346-46-8
SMILES
C1=CC(=C(C(=C1)F)CNC(=O)N)C(F)(F)F
InChIKey
NLKRQVSNIXWLBR-UHFFFAOYSA-N
InChI
InChI=1S/C9H8F4N2O/c10-7-3-1-2-6(9(11,12)13)5(7)4-15-8(14)16/h1-3H,4H2,(H3,14,15,16)

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Names and synonyms

1 names
  • 1-(2-Fluoro-6-(trifloromethyl)benzyl)urea

Work with N-(2-Fluoro-6-(trifluoromethyl)benzyl)urea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-054 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetic acid179946-32-853 % similar 2-Fluoro-6-(trifluoromethyl)benzamide144851-59-250 % similar 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-950 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-250 % similar 2'-Fluoro-6'-(trifluoromethyl)acetophenone174013-29-747 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile179946-34-047 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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