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

C7H7BrF2N2O — CID 131025626

IUPAC3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole
SMILESFC1(F)CCCC1c1nc(Br)no1
InChIInChI=1S/C7H7BrF2N2O/c8-6-11-5(13-12-6)4-2-1-3-7(4,9)10/h4H,1-3H2
InChIKeyUTDZWQURBZQKOW-UHFFFAOYSA-N
MW253.05 g/mol
LogP2.73
Rot. Bonds1

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

3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole (PubChem CID 131025626) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole
PubChem CID131025626
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole
SMILESFC1(F)CCCC1c1nc(Br)no1
InChIInChI=1S/C7H7BrF2N2O/c8-6-11-5(13-12-6)4-2-1-3-7(4,9)10/h4H,1-3H2
InChIKeyUTDZWQURBZQKOW-UHFFFAOYSA-N
XLogP2.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole (CID 131025626) is 3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole is FC1(F)CCCC1c1nc(Br)no1.
What is the InChIKey of 3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole?
The InChIKey is UTDZWQURBZQKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-6-11-5(13-12-6)4-2-1-3-7(4,9)10/h4H,1-3H2.
What are the key properties of 3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole?
3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole has a molecular weight of 253.05 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131025626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).