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

C8H12F3N3O — CID 106399868

IUPAC4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
SMILESFC(F)(F)CCCNCCc1ncno1
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)3-1-4-12-5-2-7-13-6-14-15-7/h6,12H,1-5H2
InChIKeyLQTZXEFCZAIROZ-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.54
Rot. Bonds6

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

4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine (PubChem CID 106399868) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
PubChem CID106399868
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
SMILESFC(F)(F)CCCNCCc1ncno1
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)3-1-4-12-5-2-7-13-6-14-15-7/h6,12H,1-5H2
InChIKeyLQTZXEFCZAIROZ-UHFFFAOYSA-N
XLogP1.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.54
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

4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106394350
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
CID 106400344
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106399887
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
(E)-4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-en-1-amine
CID 106399894
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103821573
N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82238026
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol
CID 106399669
2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103744486
ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399552

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine (CID 106399868) is 4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine is FC(F)(F)CCCNCCc1ncno1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The InChIKey is LQTZXEFCZAIROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c9-8(10,11)3-1-4-12-5-2-7-13-6-14-15-7/h6,12H,1-5H2.
What are the key properties of 4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine has a molecular weight of 223.20 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine is sourced from PubChem (CID 106399868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).