4-Fluoro-3-(trifluoromethyl)benzamide

C₈H₅F₄NOCAS 67515-57-5207.13 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₅F₄NO
Molar mass: 207.13 g/mol
Exact mass: 207.0307 Da
logP: 2.73Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

67515-57-5

SMILES

N=C(O)c1ccc(F)c(C(F)(F)F)c1

InChIKey

UUOVPAFAXSKGMP-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F4NO/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H2,13,14)

Weigh it out

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

Names and synonyms

2 names

Benzamide, 4-fluoro-3-(trifluoromethyl)-
2-Fluoro-5-carbamoylbenzotrifluoride

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

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

3,4-Difluorobenzamide85118-04-364 % similar 3-(Trifluoromethyl)benzamide1801-10-153 % similar 3,5-Bis(trifluoromethyl)benzamide22227-26-550 % similar 4-Fluoro-3-(trifluoromethyl)phenol61721-07-150 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-448 % similar 6-(Trifluoromethyl)-3-pyridinecarboxamide386715-35-148 % similar 2,4-Bis(trifluoromethyl)benzamide53130-45-348 % similar 2-(Trifluoromethyl)benzamide360-64-547 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)benzamide144851-59-2 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook