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

C7H8F3N3O — CID 65466923

IUPAC1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)3-4-12-5(14-13-4)6(11)1-2-6/h1-3,11H2
InChIKeyVDSCTXRHSSZNPF-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.12
Rot. Bonds2

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

1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (PubChem CID 65466923) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
PubChem CID65466923
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)3-4-12-5(14-13-4)6(11)1-2-6/h1-3,11H2
InChIKeyVDSCTXRHSSZNPF-UHFFFAOYSA-N
XLogP1.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (CID 65466923) is 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is NC1(c2nc(CC(F)(F)F)no2)CC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The InChIKey is VDSCTXRHSSZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)3-4-12-5(14-13-4)6(11)1-2-6/h1-3,11H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine has a molecular weight of 207.15 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 65466923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).