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

C9H14F3N3O — CID 62817799

IUPACN-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-4-13-8(2,3)7-14-6(15-16-7)5-9(10,11)12/h13H,4-5H2,1-3H3
InChIKeyYCPWSXRPMFVGJU-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.02
Rot. Bonds4

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

N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 62817799) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID62817799
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-4-13-8(2,3)7-14-6(15-16-7)5-9(10,11)12/h13H,4-5H2,1-3H3
InChIKeyYCPWSXRPMFVGJU-UHFFFAOYSA-N
XLogP2.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 62817799) is N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(C)(C)c1nc(CC(F)(F)F)no1.
What is the InChIKey of N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is YCPWSXRPMFVGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-4-13-8(2,3)7-14-6(15-16-7)5-9(10,11)12/h13H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 62817799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).