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

C8H10F2N2O — CID 126994118

IUPAC5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCC2(F)F)n1
InChIInChI=1S/C8H10F2N2O/c1-5-11-7(13-12-5)6-3-2-4-8(6,9)10/h6H,2-4H2,1H3
InChIKeyHQLOUECKLQTEOF-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.28
Rot. Bonds1

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

5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 126994118) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole
PubChem CID126994118
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCC2(F)F)n1
InChIInChI=1S/C8H10F2N2O/c1-5-11-7(13-12-5)6-3-2-4-8(6,9)10/h6H,2-4H2,1H3
InChIKeyHQLOUECKLQTEOF-UHFFFAOYSA-N
XLogP2.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole (CID 126994118) is 5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCC2(F)F)n1.
What is the InChIKey of 5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is HQLOUECKLQTEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5-11-7(13-12-5)6-3-2-4-8(6,9)10/h6H,2-4H2,1H3.
What are the key properties of 5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole?
5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 188.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluorocyclopentyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126994118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).