2,3,4-Trifluorophenylacetonitrile

C8H4F3NCAS 243666-13-9171.12 g/mol

Open in Covalent MOL file
NFFF
Aryl halideNitrile

Properties

Molecular formula
C8H4F3N
Molar mass
171.12 g/mol
Exact mass
171.0296 Da
logP
2.17Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
243666-13-9
SMILES
C1=CC(=C(C(=C1CC#N)F)F)F
InChIKey
BHGADPADDLWFSR-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F3N/c9-6-2-1-5(3-4-12)7(10)8(6)11/h1-2H,3H2

Weigh it out

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

Work with 2,3,4-Trifluorophenylacetonitrile

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

2,3-Difluorophenylacetonitrile145689-34-570 % similar 2-Fluorobenzeneacetonitrile326-62-557 % similar 2,4-Difluorophenylacetonitrile656-35-955 % similar 2,5-Difluorobenzeneacetonitrile69584-87-855 % similar 2-(3-Chloro-2-fluorophenyl)acetonitrile261762-98-553 % similar 2,3,4-Trifluorobenzyl alcohol144284-24-252 % similar 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-252 % similar 2,3,4-Trifluorobenzylamine235088-67-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,6-Trifluorobenzeneacetonitrile114152-21-5 2,4,5-Trifluorophenylacetonitrile220141-74-2 2,4,6-Trifluorophenylacetonitrile220227-80-5 3,4,5-Trifluorophenylacetonitrile220228-03-5 3-(Trifluoromethyl)benzonitrile368-77-4 2-(Trifluoromethyl)benzonitrile447-60-9 4-(Trifluoromethyl)benzonitrile455-18-5

Elsewhere

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