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

C9H11ClF2N2O — CID 130487723

IUPAC2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole
SMILESFC1(F)CCC(c2nnc(CCCl)o2)C1
InChIInChI=1S/C9H11ClF2N2O/c10-4-2-7-13-14-8(15-7)6-1-3-9(11,12)5-6/h6H,1-5H2
InChIKeyRGPBLXKZGGJAIE-UHFFFAOYSA-N
MW236.65 g/mol
LogP2.75
Rot. Bonds3

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

2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole (PubChem CID 130487723) has the molecular formula C9H11ClF2N2O and a molecular weight of 236.65 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole
PubChem CID130487723
Molecular FormulaC9H11ClF2N2O
Molecular Weight236.65 g/mol
Exact Mass236.05
IUPAC Name2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole
SMILESFC1(F)CCC(c2nnc(CCCl)o2)C1
InChIInChI=1S/C9H11ClF2N2O/c10-4-2-7-13-14-8(15-7)6-1-3-9(11,12)5-6/h6H,1-5H2
InChIKeyRGPBLXKZGGJAIE-UHFFFAOYSA-N
XLogP2.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole (CID 130487723) is 2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole is FC1(F)CCC(c2nnc(CCCl)o2)C1.
What is the InChIKey of 2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole?
The InChIKey is RGPBLXKZGGJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2O/c10-4-2-7-13-14-8(15-7)6-1-3-9(11,12)5-6/h6H,1-5H2.
What are the key properties of 2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole has a molecular weight of 236.65 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole is sourced from PubChem (CID 130487723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).