5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole

C7H8F2N2O — CID 91029568

IUPAC5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CC(F)(F)C2)n1
InChIInChI=1S/C7H8F2N2O/c1-4-10-6(12-11-4)5-2-7(8,9)3-5/h5H,2-3H2,1H3
InChIKeyFIFWXQMHJNEMSU-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.89
Rot. Bonds1

About 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole

5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 91029568) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole
PubChem CID91029568
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CC(F)(F)C2)n1
InChIInChI=1S/C7H8F2N2O/c1-4-10-6(12-11-4)5-2-7(8,9)3-5/h5H,2-3H2,1H3
InChIKeyFIFWXQMHJNEMSU-UHFFFAOYSA-N
XLogP1.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole (CID 91029568) is 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CC(F)(F)C2)n1.
What is the InChIKey of 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is FIFWXQMHJNEMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-4-10-6(12-11-4)5-2-7(8,9)3-5/h5H,2-3H2,1H3.
What are the key properties of 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole?
5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 174.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorocyclobutyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 91029568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).