chempirical

2,6-Difluorophenyl isocyanate

C7H3F2NOCAS 65295-69-4155.10 g/mol

Open in Covalent MOL file
FNOF
Aryl halideIsocyanate

Properties

Molecular formula
C7H3F2NO
Molar mass
155.10 g/mol
Exact mass
155.0183 Da
logP
1.93Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
65295-69-4
SMILES
C1=CC(=C(C(=C1)F)N=C=O)F
InChIKey
YXHDLKWTPVMIOH-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H

Weigh it out

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

Work with 2,6-Difluorophenyl 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 isocyanate16744-98-261 % similar 2,6-Difluorophenyl isothiocyanate207974-17-257 % similar 2,6-Dichlorophenyl isocyanate39920-37-154 % similar 2,6-Dimethylphenyl isocyanate28556-81-252 % similar 3-Fluorophenyl isocyanate404-71-750 % similar 2,6-Difluorobenzoyl isocyanate60731-73-950 % similar 3-Chloro-4-fluorophenyl isocyanate50529-33-448 % similar 4-Fluorophenyl isocyanate1195-45-548 % similar

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

Same formula

2,6-Difluoro-4-hydroxybenzonitrile123843-57-2 2,3-Difluoro-4-hydroxybenzonitrile126162-38-7 3,5-Difluoro-4-hydroxy-benzonitrile2967-54-6 1,4-Difluoro-2-isocyanatobenzene39718-32-6 3,4-Difluorophenyl isocyanate42601-04-7 2,4-Difluorophenyl isocyanate59025-55-7

Elsewhere

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