2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine

C10H16F3N3O2 — CID 103472737

IUPAC2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
SMILESCCC(CN)Cc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O2/c1-2-7(4-14)3-9-15-8(16-18-9)5-17-6-10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyISQFHCVNXCWMAP-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.68
Rot. Bonds7

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

2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine (PubChem CID 103472737) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
PubChem CID103472737
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
SMILESCCC(CN)Cc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O2/c1-2-7(4-14)3-9-15-8(16-18-9)5-17-6-10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyISQFHCVNXCWMAP-UHFFFAOYSA-N
XLogP1.68
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine (CID 103472737) is 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine is CCC(CN)Cc1nc(COCC(F)(F)F)no1.
What is the InChIKey of 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine?
The InChIKey is ISQFHCVNXCWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-2-7(4-14)3-9-15-8(16-18-9)5-17-6-10(11,12)13/h7H,2-6,14H2,1H3.
What are the key properties of 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine?
2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine has a molecular weight of 267.25 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 103472737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).