1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine

C5H6F3N3O — CID 102993928

IUPAC1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)(c1ncno1)C(F)(F)F
InChIInChI=1S/C5H6F3N3O/c1-4(9,5(6,7)8)3-10-2-11-12-3/h2H,9H2,1H3
InChIKeyAVDUHDPDIGLQDH-UHFFFAOYSA-N
MW181.12 g/mol
LogP0.81
Rot. Bonds1

About 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine

1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 102993928) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID102993928
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC Name1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)(c1ncno1)C(F)(F)F
InChIInChI=1S/C5H6F3N3O/c1-4(9,5(6,7)8)3-10-2-11-12-3/h2H,9H2,1H3
InChIKeyAVDUHDPDIGLQDH-UHFFFAOYSA-N
XLogP0.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine (CID 102993928) is 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine is CC(N)(c1ncno1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is AVDUHDPDIGLQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c1-4(9,5(6,7)8)3-10-2-11-12-3/h2H,9H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine?
1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 181.12 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 102993928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).