2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde

C10H4F4N2O2 — CID 129270584

IUPAC2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
SMILESO=Cc1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C10H4F4N2O2/c11-7-3-5(1-2-6(7)4-17)8-15-9(18-16-8)10(12,13)14/h1-4H
InChIKeyHGISYFKOWUNSKI-UHFFFAOYSA-N
MW260.15 g/mol
LogP2.71
Rot. Bonds2

About 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde

2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde (PubChem CID 129270584) has the molecular formula C10H4F4N2O2 and a molecular weight of 260.15 g/mol. Its IUPAC name is 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
PubChem CID129270584
Molecular FormulaC10H4F4N2O2
Molecular Weight260.15 g/mol
Exact Mass260.02
IUPAC Name2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
SMILESO=Cc1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C10H4F4N2O2/c11-7-3-5(1-2-6(7)4-17)8-15-9(18-16-8)10(12,13)14/h1-4H
InChIKeyHGISYFKOWUNSKI-UHFFFAOYSA-N
XLogP2.71
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl] N-(difluoromethyl)carbamate
CID 145340171
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
N-[difluoro-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 140911406
2-fluoro-N-prop-2-enyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489832
2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 178047398
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-oxobutanamide
CID 137366797
2-fluoro-N-methyl-N-(2-methylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489873
2-fluoro-N-(2-methylprop-2-enyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 166876065
1-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3,3,3-trifluoropropylsulfanyl)ethanone
CID 155193178
N-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 146525482
3-[3-fluoro-4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532683
3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175191611

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
The IUPAC name of 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde (CID 129270584) is 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde.
What is the SMILES notation for 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
The canonical SMILES for 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde is O=Cc1ccc(-c2noc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
The InChIKey is HGISYFKOWUNSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N2O2/c11-7-3-5(1-2-6(7)4-17)8-15-9(18-16-8)10(12,13)14/h1-4H.
What are the key properties of 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde has a molecular weight of 260.15 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde is sourced from PubChem (CID 129270584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).