2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole

C7H11FN2O — CID 121357123

IUPAC2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(C)F)o1
InChIInChI=1S/C7H11FN2O/c1-4(2)6-9-10-7(11-6)5(3)8/h4-5H,1-3H3
InChIKeySAUCXRICZMROLG-UHFFFAOYSA-N
MW158.18 g/mol
LogP2.22
Rot. Bonds2

About 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole

2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 121357123) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID121357123
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(C)F)o1
InChIInChI=1S/C7H11FN2O/c1-4(2)6-9-10-7(11-6)5(3)8/h4-5H,1-3H3
InChIKeySAUCXRICZMROLG-UHFFFAOYSA-N
XLogP2.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 121357123) is 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(C(C)F)o1.
What is the InChIKey of 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is SAUCXRICZMROLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-4(2)6-9-10-7(11-6)5(3)8/h4-5H,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 158.18 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 121357123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).