4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde

C8H4F2N2O2S — CID 165461498

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2nnc(C(F)F)o2)cs1
InChIInChI=1S/C8H4F2N2O2S/c9-6(10)8-12-11-7(14-8)4-1-5(2-13)15-3-4/h1-3,6H
InChIKeyONUOLUNUBUPXHL-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.55
Rot. Bonds3

About 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde (PubChem CID 165461498) has the molecular formula C8H4F2N2O2S and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde
PubChem CID165461498
Molecular FormulaC8H4F2N2O2S
Molecular Weight230.19 g/mol
Exact Mass230.00
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2nnc(C(F)F)o2)cs1
InChIInChI=1S/C8H4F2N2O2S/c9-6(10)8-12-11-7(14-8)4-1-5(2-13)15-3-4/h1-3,6H
InChIKeyONUOLUNUBUPXHL-UHFFFAOYSA-N
XLogP2.55
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde (CID 165461498) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde is O=Cc1cc(-c2nnc(C(F)F)o2)cs1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde?
The InChIKey is ONUOLUNUBUPXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2S/c9-6(10)8-12-11-7(14-8)4-1-5(2-13)15-3-4/h1-3,6H.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde has a molecular weight of 230.19 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 165461498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).