chempirical

3-Fluoro-4-(trifluoromethyl)pyridine

C6H3F4NCAS 113770-87-9165.09 g/mol

Open in Covalent MOL file
NFFFF
Alkyl halideAryl halide

Properties

Molecular formula
C6H3F4N
Molar mass
165.09 g/mol
Exact mass
165.0202 Da
logP
2.24Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
113770-87-9
SMILES
C1=CN=CC(=C1C(F)(F)F)F
InChIKey
AXHLDFPTUFGBRL-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F4N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H

Weigh it out

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

Work with 3-Fluoro-4-(trifluoromethyl)pyridine

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

3-Amino-4-trifluoromethylpyridine175204-80-557 % similar 3-Chloro-4-(trifluoromethyl)pyridine81565-19-757 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-652 % similar 2-Fluorobenzotrifluoride392-85-850 % similar 4-Trifluoromethylnicotinamide158062-71-647 % similar N-Hydroxy-4-(trifluoromethyl)-3-pyridinecarboximidamide175204-85-044 % similar 4-(Trifluoromethyl)pyridine3796-24-543 % similar 3-Fluoro-4-pyridinecarbonitrile113770-88-042 % similar

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

Same formula

2-Fluoro-4-(trifluoromethyl)pyridine118078-66-3 2,3,4,6-Tetrafluorobenzenamine363-73-5 2-Fluoro-5-(trifluoromethyl)pyridine69045-82-5 2,3,5,6-Tetrafluorobenzenamine700-17-4 2-Fluoro-6-(trifluoromethyl)pyridine94239-04-0

Elsewhere

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