4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C7H10F3N3O — CID 82008043

IUPAC4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)CCc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-4(11)2-3-5-12-6(13-14-5)7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyJNVBBPXILKQHAQ-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.37
Rot. Bonds3

About 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 82008043) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID82008043
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)CCc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-4(11)2-3-5-12-6(13-14-5)7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyJNVBBPXILKQHAQ-UHFFFAOYSA-N
XLogP1.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 82008043) is 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(N)CCc1nc(C(F)(F)F)no1.
What is the InChIKey of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is JNVBBPXILKQHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4(11)2-3-5-12-6(13-14-5)7(8,9)10/h4H,2-3,11H2,1H3.
What are the key properties of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 209.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 82008043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).