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

C7H10F3N3O — CID 106400034

IUPAC3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESFC(F)(F)CCNCCc1ncno1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)2-4-11-3-1-6-12-5-13-14-6/h5,11H,1-4H2
InChIKeyYDXFZCAMYFSNDC-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.15
Rot. Bonds5

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

3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 106400034) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
PubChem CID106400034
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESFC(F)(F)CCNCCc1ncno1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)2-4-11-3-1-6-12-5-13-14-6/h5,11H,1-4H2
InChIKeyYDXFZCAMYFSNDC-UHFFFAOYSA-N
XLogP1.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62342280
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61392906
N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61712071
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62327434
N-methyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79952687
2-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79952845
N-ethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79952849
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007714
N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007972
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (CID 106400034) is 3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is FC(F)(F)CCNCCc1ncno1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is YDXFZCAMYFSNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)2-4-11-3-1-6-12-5-13-14-6/h5,11H,1-4H2.
What are the key properties of 3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 209.17 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106400034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).