4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde

C₁₃H₁₀FNO₂CAS 128843-61-8231.23 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ketone

Properties

Molecular formula: C₁₃H₁₀FNO₂
Molar mass: 231.23 g/mol
Exact mass: 231.0696 Da
logP: 2.21Crippen estimate
Polar surface area: 39.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

128843-61-8

SMILES

CN1C=C(C=C1C=O)C(=O)C2=CC=C(C=C2)F

InChIKey

GNMRXQTZWYXHMO-UHFFFAOYSA-N

InChI

InChI=1S/C13H10FNO2/c1-15-7-10(6-12(15)8-16)13(17)9-2-4-11(14)5-3-9/h2-8H,1H3

Weigh it out

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

Work with 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde

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

4,4′-Difluorobenzophenone345-92-650 % similar 4-Fluoro-4'-methylbenzophenone530-46-146 % similar 4-Fluorobenzophenone345-83-545 % similar 4-Fluoro-4'-methoxybenzophenone345-89-143 % similar 4-Fluoro-4'-hydroxybenzophenone25913-05-743 % similar 2,4′-Difluorobenzophenone342-25-640 % similar 4′-Fluoroacetophenone403-42-939 % similar 2-Chloro-4'-fluorobenzophenone1806-23-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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