3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid

C7H7FN2O3 — CID 153295544

IUPAC3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(C2(CF)CC2)no1
InChIInChI=1S/C7H7FN2O3/c8-3-7(1-2-7)6-9-4(5(11)12)13-10-6/h1-3H2,(H,11,12)
InChIKeyVVODFOUMIJIYHZ-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.77
Rot. Bonds3

About 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid

3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 153295544) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID153295544
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(C2(CF)CC2)no1
InChIInChI=1S/C7H7FN2O3/c8-3-7(1-2-7)6-9-4(5(11)12)13-10-6/h1-3H2,(H,11,12)
InChIKeyVVODFOUMIJIYHZ-UHFFFAOYSA-N
XLogP0.77
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid (CID 153295544) is 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid is O=C(O)c1nc(C2(CF)CC2)no1.
What is the InChIKey of 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is VVODFOUMIJIYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c8-3-7(1-2-7)6-9-4(5(11)12)13-10-6/h1-3H2,(H,11,12).
What are the key properties of 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid?
3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 186.14 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 153295544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).