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

C7H10F3N3O — CID 62139039

IUPACN-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c1-2-11-4-6-13-12-5(14-6)3-7(8,9)10/h11H,2-4H2,1H3
InChIKeyCPFCUQABNMVFAA-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.28
Rot. Bonds4

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

N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 62139039) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID62139039
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c1-2-11-4-6-13-12-5(14-6)3-7(8,9)10/h11H,2-4H2,1H3
InChIKeyCPFCUQABNMVFAA-UHFFFAOYSA-N
XLogP1.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 62139039) is N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(CC(F)(F)F)o1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is CPFCUQABNMVFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-2-11-4-6-13-12-5(14-6)3-7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 209.17 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62139039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).