4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde

C5H3F2NO2 — CID 84649144

IUPAC4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1oncc1C(F)F
InChIInChI=1S/C5H3F2NO2/c6-5(7)3-1-8-10-4(3)2-9/h1-2,5H
InChIKeyYTCJRJQAXUUOEV-UHFFFAOYSA-N
MW147.08 g/mol
LogP1.42
Rot. Bonds2

About 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde

4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde (PubChem CID 84649144) has the molecular formula C5H3F2NO2 and a molecular weight of 147.08 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde
PubChem CID84649144
Molecular FormulaC5H3F2NO2
Molecular Weight147.08 g/mol
Exact Mass147.01
IUPAC Name4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1oncc1C(F)F
InChIInChI=1S/C5H3F2NO2/c6-5(7)3-1-8-10-4(3)2-9/h1-2,5H
InChIKeyYTCJRJQAXUUOEV-UHFFFAOYSA-N
XLogP1.42
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.08
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde (CID 84649144) is 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde is O=Cc1oncc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde?
The InChIKey is YTCJRJQAXUUOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO2/c6-5(7)3-1-8-10-4(3)2-9/h1-2,5H.
What are the key properties of 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde?
4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde has a molecular weight of 147.08 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 84649144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).