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

C8H10F3N3O — CID 70796176

IUPACN-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCCNC1(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C8H10F3N3O/c1-2-12-7(3-4-7)6-13-5(14-15-6)8(9,10)11/h12H,2-4H2,1H3
InChIKeyAIGUFKNSXOCSTJ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.69
Rot. Bonds3

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

N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (PubChem CID 70796176) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
PubChem CID70796176
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCCNC1(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C8H10F3N3O/c1-2-12-7(3-4-7)6-13-5(14-15-6)8(9,10)11/h12H,2-4H2,1H3
InChIKeyAIGUFKNSXOCSTJ-UHFFFAOYSA-N
XLogP1.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (CID 70796176) is N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is CCNC1(c2nc(C(F)(F)F)no2)CC1.
What is the InChIKey of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The InChIKey is AIGUFKNSXOCSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-12-7(3-4-7)6-13-5(14-15-6)8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine has a molecular weight of 221.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 70796176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).