3,4-Difluorobenzamide

C7H5F2NOCAS 85118-04-3157.12 g/mol

Open in Covalent MOL file
H2NOFF
Aryl halide

Properties

Molecular formula
C7H5F2NO
Molar mass
157.12 g/mol
Exact mass
157.0339 Da
Melting point
129–130 °C
logP
1.85Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
85118-04-3
SMILES
N=C(O)c1ccc(F)c(F)c1
InChIKey
CMWOHNIHUBDEAG-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)

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Names and synonyms

1 names
  • Benzamide, 3,4-difluoro-

Work with 3,4-Difluorobenzamide

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

4-Fluoro-3-(trifluoromethyl)benzamide67515-57-564 % similar 3-Fluorobenzamide455-37-855 % similar 3,4-Difluorobenzoic acid455-86-755 % similar 1,3-Benzenedicarboxamide1740-57-454 % similar 2,4,5-Trifluorobenzamide98349-23-653 % similar 3,4-Dihydroxybenzamide54337-90-552 % similar 3,4-Dimethoxybenzamide1521-41-150 % similar 2-Naphthalenecarboxamide2243-82-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluorobenzamide132980-99-5 2,6-Difluorobenzamide18063-03-1 2,3-Difluorobenzamide18355-75-4 2,6-Difluorobenzaldehyde oxime19064-16-5 2,4-Difluorobenzaldehyde oxime247092-11-1 2,4-Difluorobenzamide85118-02-1 2,5-Difluorobenzamide85118-03-2

Elsewhere

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