N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine

C7H8F3N3O — CID 62594311

IUPACN-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESFC(F)(F)Cc1noc(NC2CC2)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)3-5-12-6(14-13-5)11-4-1-2-4/h4H,1-3H2,(H,11,12,13)
InChIKeyXZEYJESTNKEVJQ-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.75
Rot. Bonds3

About N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine

N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62594311) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62594311
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC NameN-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESFC(F)(F)Cc1noc(NC2CC2)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)3-5-12-6(14-13-5)11-4-1-2-4/h4H,1-3H2,(H,11,12,13)
InChIKeyXZEYJESTNKEVJQ-UHFFFAOYSA-N
XLogP1.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (CID 62594311) is N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is FC(F)(F)Cc1noc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is XZEYJESTNKEVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)3-5-12-6(14-13-5)11-4-1-2-4/h4H,1-3H2,(H,11,12,13).
What are the key properties of N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 207.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).