5-[2-(Trifluoromethyl)phenyl]furfural

C12H7F3O2CAS 94098-56-3240.18 g/mol

Open in Covalent MOL file
OOFFF
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
94098-56-3
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C=O)C(F)(F)F
InChIKey
BECHPBVVELWRBW-UHFFFAOYSA-N
InChI
InChI=1S/C12H7F3O2/c13-12(14,15)10-4-2-1-3-9(10)11-6-5-8(7-16)17-11/h1-7H

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Names and synonyms

1 names
  • 5-[2-(Trifluoromethyl)phenyl]-2-furaldehyde

Work with 5-[2-(Trifluoromethyl)phenyl]furfural

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-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-655 % similar 2-(Trifluoromethyl)benzaldehyde447-61-054 % similar 2'-Trifluoromethyl-biphenyl-4-carbaldehyde198205-95-754 % similar 5-Phenyl-2-furaldehyde13803-39-953 % similar 2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde675596-31-350 % similar 5-(2-Nitrophenyl)-2-furaldehyde20000-96-849 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-145 % similar 2,5-Furandicarboxaldehyde823-82-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(3-Trifluoromethyl-phenyl)-furan-2-carbaldehyde52130-30-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook