chempirical

2-Fluorophenyl isocyanate

C7H4FNOCAS 16744-98-2137.11 g/mol

Open in Covalent MOL file
ONF
Aryl halideIsocyanate

Properties

Molecular formula
C7H4FNO
Molar mass
137.11 g/mol
Exact mass
137.0277 Da
Boiling point
65 °C (at 18 Torr)
logP
1.79Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
16744-98-2
SMILES
O=C=Nc1ccccc1F
InChIKey
VZNCSZQPNIEEMN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Benzene, 1-fluoro-2-isocyanato-
  • Isocyanic acid, o-fluorophenyl ester
  • 1-Fluoro-2-isocyanatobenzene
  • o-Fluorophenyl isocyanate
  • 2-Fluoroisocyanatobenzene
  • 2-Fluoro-1-isocyanatobenzene
  • 1-Isocyanato-2-fluorobenzene

Work with 2-Fluorophenyl isocyanate

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-Fluorophenyl isothiocyanate38985-64-759 % similar 1,4-Difluoro-2-isocyanatobenzene39718-32-658 % similar 1,5-Naphthalene diisocyanate3173-72-654 % similar 1-Iodo-2-isocyanatobenzene128255-31-253 % similar 2-Chlorophenyl isocyanate3320-83-053 % similar 2-Methylphenyl isocyanate614-68-653 % similar 2-(Trifluoromethyl)phenyl isocyanate2285-12-353 % similar 2-Biphenyl isocyanate17337-13-252 % similar

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

Same formula

4-Fluorophenyl isocyanate1195-45-5 2-Cyano-3-fluorophenol140675-43-0 3-Fluorophenyl isocyanate404-71-7 4-Cyano-2-fluorophenol405-04-9 2-Fluoro-4-hydroxybenzonitrile82380-18-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook