N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C9H14F3N3O — CID 62163416

IUPACN-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C9H14F3N3O/c1-3-4-13-6(2)8-15-14-7(16-8)5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyXHVAYTSEBOQMLX-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.23
Rot. Bonds5

About N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 62163416) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID62163416
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C9H14F3N3O/c1-3-4-13-6(2)8-15-14-7(16-8)5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyXHVAYTSEBOQMLX-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 62163416) is N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(CC(F)(F)F)o1.
What is the InChIKey of N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is XHVAYTSEBOQMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-3-4-13-6(2)8-15-14-7(16-8)5-9(10,11)12/h6,13H,3-5H2,1-2H3.
What are the key properties of N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 237.22 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62163416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).