5-(3-Trifluoromethyl-phenyl)-furan-2-carbaldehyde

C12H7F3O2CAS 52130-30-0240.18 g/mol

Open in Covalent MOL file
FFFOO
AldehydeAlkyl halide

Properties

Molecular formula
C12H7F3O2
Molar mass
240.18 g/mol
Exact mass
240.0398 Da
logP
3.78Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
52130-30-0
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C=O
InChIKey
MRVWKXZQBOFMAW-UHFFFAOYSA-N
InChI
InChI=1S/C12H7F3O2/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7H

Weigh it out

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

Names and synonyms

1 names
  • 5-(3-(Trifluoromethyl)phenyl)furfural

Work with 5-(3-Trifluoromethyl-phenyl)-furan-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

5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-760 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-557 % similar 5-Phenyl-2-furaldehyde13803-39-957 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-456 % similar 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid54022-99-054 % similar 5-(3-Nitrophenyl)-2-furaldehyde13148-43-152 % similar 3-(Trifluoromethyl)benzaldehyde454-89-751 % similar 5-(4-Chlorophenyl)-2-furaldehyde34035-03-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-[2-(Trifluoromethyl)phenyl]furfural94098-56-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook