2,4,5-Trifluorobenzamide

C7H4F3NOCAS 98349-23-6175.11 g/mol

Open in Covalent MOL file
H2NOFFF
Aryl halide

Properties

Molecular formula
C7H4F3NO
Molar mass
175.11 g/mol
Exact mass
175.0245 Da
logP
1.99Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
98349-23-6
SMILES
N=C(O)c1cc(F)c(F)cc1F
InChIKey
YQRPJVUZSKXCJN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H2,11,12)

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

Names and synonyms

1 names
  • Benzamide, 2,4,5-trifluoro-

Work with 2,4,5-Trifluorobenzamide

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

2,4-Difluorobenzamide85118-02-160 % similar 2,5-Difluorobenzamide85118-03-260 % similar 2,4,5-Trifluorobenzoic acid446-17-357 % similar 2-Fluorobenzamide445-28-355 % similar 3,4-Difluorobenzamide85118-04-353 % similar 2,3-Difluorobenzamide18355-75-450 % similar 4,5-Difluorophthalic acid18959-31-450 % similar 2,6-Difluorobenzamide18063-03-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-1 2,3,4-Trifluorobenzamide207919-09-3 2,3,6-Trifluorobenzamide207986-22-9 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-5 2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one33284-21-8 6-(Trifluoromethyl)pyridine-3-carboxaldehyde386704-12-7 3,4,5-Trifluorobenzamide78324-75-1 2,4,6-Trifluorobenzamide82019-50-9

Elsewhere

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