5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid

C4H2F2N2O3 — CID 112619614

IUPAC5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C(F)F)o1
InChIInChI=1S/C4H2F2N2O3/c5-1(6)2-7-8-3(11-2)4(9)10/h1H,(H,9,10)
InChIKeyVSGAKXBSCDBWHQ-UHFFFAOYSA-N
MW164.07 g/mol
LogP0.71
Rot. Bonds2

About 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid

5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 112619614) has the molecular formula C4H2F2N2O3 and a molecular weight of 164.07 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID112619614
Molecular FormulaC4H2F2N2O3
Molecular Weight164.07 g/mol
Exact Mass164.00
IUPAC Name5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C(F)F)o1
InChIInChI=1S/C4H2F2N2O3/c5-1(6)2-7-8-3(11-2)4(9)10/h1H,(H,9,10)
InChIKeyVSGAKXBSCDBWHQ-UHFFFAOYSA-N
XLogP0.71
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 112619614) is 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(C(F)F)o1.
What is the InChIKey of 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is VSGAKXBSCDBWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2N2O3/c5-1(6)2-7-8-3(11-2)4(9)10/h1H,(H,9,10).
What are the key properties of 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 164.07 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 112619614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).