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

C8H10F3N3O — CID 90378792

IUPACN-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCNC1(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C8H10F3N3O/c1-12-7(2-3-7)6-13-5(14-15-6)4-8(9,10)11/h12H,2-4H2,1H3
InChIKeyFUEJDRZJTJLJIZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.38
Rot. Bonds3

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

N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (PubChem CID 90378792) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
PubChem CID90378792
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCNC1(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C8H10F3N3O/c1-12-7(2-3-7)6-13-5(14-15-6)4-8(9,10)11/h12H,2-4H2,1H3
InChIKeyFUEJDRZJTJLJIZ-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (CID 90378792) is N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is CNC1(c2nc(CC(F)(F)F)no2)CC1.
What is the InChIKey of N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The InChIKey is FUEJDRZJTJLJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-12-7(2-3-7)6-13-5(14-15-6)4-8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine has a molecular weight of 221.18 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 90378792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).