2-Fluoro-5-(trifluoromethyl)phenyl isocyanate

C₈H₃F₄NOCAS 69922-27-6205.11 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Isocyanate

Properties

Molecular formula: C₈H₃F₄NO
Molar mass: 205.11 g/mol
Exact mass: 205.0151 Da
logP: 2.81Crippen estimate
Polar surface area: 29.4 Å²
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

69922-27-6

SMILES

C1=CC(=C(C=C1C(F)(F)F)N=C=O)F

InChIKey

NAIKHCBDZGSGHH-UHFFFAOYSA-N

InChI

InChI=1S/C8H3F4NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H

Weigh it out

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

Work with 2-Fluoro-5-(trifluoromethyl)phenyl 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

1-Chloro-2-isocyanato-4-(trifluoromethyl)benzene50528-86-465 % similar 1,4-Difluoro-2-isocyanatobenzene39718-32-660 % similar 2-Fluoro-5-methylphenyl isocyanate190774-50-657 % similar 4-(Trifluoromethyl)phenyl isocyanate1548-13-654 % similar 3-(Trifluoromethyl)phenyl isocyanate329-01-154 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-252 % similar 2-Fluorophenyl isocyanate16744-98-251 % similar 3,5-Bis(trifluoromethyl)phenyl isocyanate16588-74-250 % similar

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

Same formula

4-Fluoro-3-(trifluoromethyl)phenyl isocyanate139057-86-6

Elsewhere

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