2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C11H16F3N3O — CID 79258111

IUPAC2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCC1CCC(c2noc(CNCC(F)(F)F)n2)C1
InChIInChI=1S/C11H16F3N3O/c1-7-2-3-8(4-7)10-16-9(18-17-10)5-15-6-11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyCOYZCFAPKCXESM-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.63
Rot. Bonds4

About 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79258111) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79258111
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCC1CCC(c2noc(CNCC(F)(F)F)n2)C1
InChIInChI=1S/C11H16F3N3O/c1-7-2-3-8(4-7)10-16-9(18-17-10)5-15-6-11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyCOYZCFAPKCXESM-UHFFFAOYSA-N
XLogP2.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79258111) is 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CC1CCC(c2noc(CNCC(F)(F)F)n2)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is COYZCFAPKCXESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7-2-3-8(4-7)10-16-9(18-17-10)5-15-6-11(12,13)14/h7-8,15H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79258111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).