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

C9H14F3N3O — CID 61392874

IUPACN-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-6(2)13-4-3-8-14-7(15-16-8)5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyNFYDMERXZIAEON-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.71
Rot. Bonds5

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

N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 61392874) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID61392874
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-6(2)13-4-3-8-14-7(15-16-8)5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyNFYDMERXZIAEON-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 61392874) is N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is CC(C)NCCc1nc(CC(F)(F)F)no1.
What is the InChIKey of N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is NFYDMERXZIAEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6(2)13-4-3-8-14-7(15-16-8)5-9(10,11)12/h6,13H,3-5H2,1-2H3.
What are the key properties of N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 61392874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).