5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole

C6H7FN2O — CID 160935785

IUPAC5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFCC1(c2ncno2)CC1
InChIInChI=1S/C6H7FN2O/c7-3-6(1-2-6)5-8-4-9-10-5/h4H,1-3H2
InChIKeySTVXSUWLNLEATG-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.07
Rot. Bonds2

About 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole

5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 160935785) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID160935785
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFCC1(c2ncno2)CC1
InChIInChI=1S/C6H7FN2O/c7-3-6(1-2-6)5-8-4-9-10-5/h4H,1-3H2
InChIKeySTVXSUWLNLEATG-UHFFFAOYSA-N
XLogP1.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole (CID 160935785) is 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole is FCC1(c2ncno2)CC1.
What is the InChIKey of 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is STVXSUWLNLEATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c7-3-6(1-2-6)5-8-4-9-10-5/h4H,1-3H2.
What are the key properties of 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 142.13 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(fluoromethyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 160935785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).