3,4,5-Trifluorobenzamide

C7H4F3NOCAS 78324-75-1175.11 g/mol

Open in Covalent MOL file
FFFONH2
AmideAryl halide

Properties

Molecular formula
C7H4F3NO
Molar mass
175.11 g/mol
Exact mass
175.0245 Da
logP
1.20Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 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
78324-75-1
SMILES
C1=C(C=C(C(=C1F)F)F)C(=O)N
InChIKey
NCMVOBYFZPFCOH-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H2,11,12)

Weigh it out

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

Work with 3,4,5-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

3,5-Difluorobenzamide132980-99-556 % similar 3,4,5-Trifluorobenzoic acid121602-93-555 % similar 3,4,5-Trifluorobenzoyl chloride177787-26-755 % similar 3',4',5'-Trifluoroacetophenone220141-73-155 % similar 3,4,5-Trifluorobenzophenone70028-88-550 % similar 3-Chloro-4-fluorobenzamide701-43-948 % similar 2,3,5,6-Tetrafluorobenzoyl chloride107535-73-945 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-645 % 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 2,4,6-Trifluorobenzamide82019-50-9 2,4,5-Trifluorobenzamide98349-23-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook