3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

C8H10F3N3O — CID 146193961

IUPAC3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESNC1CC(Cc2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7-13-6(15-14-7)3-4-1-5(12)2-4/h4-5H,1-3,12H2
InChIKeyNUMMEVTZYZHLTR-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.37
Rot. Bonds2

About 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (PubChem CID 146193961) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
PubChem CID146193961
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESNC1CC(Cc2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7-13-6(15-14-7)3-4-1-5(12)2-4/h4-5H,1-3,12H2
InChIKeyNUMMEVTZYZHLTR-UHFFFAOYSA-N
XLogP1.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (CID 146193961) is 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is NC1CC(Cc2nc(C(F)(F)F)no2)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The InChIKey is NUMMEVTZYZHLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)7-13-6(15-14-7)3-4-1-5(12)2-4/h4-5H,1-3,12H2.
What are the key properties of 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine has a molecular weight of 221.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 146193961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).