5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C7H3F6N5O — CID 103310944

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESFC(F)(F)C(c1nc(-c2ncn[nH]2)no1)C(F)(F)F
InChIInChI=1S/C7H3F6N5O/c8-6(9,10)2(7(11,12)13)5-16-4(18-19-5)3-14-1-15-17-3/h1-2H,(H,14,15,17)
InChIKeyAEJKRBHVFFYNRL-UHFFFAOYSA-N
MW287.12 g/mol
LogP2.06
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 103310944) has the molecular formula C7H3F6N5O and a molecular weight of 287.12 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID103310944
Molecular FormulaC7H3F6N5O
Molecular Weight287.12 g/mol
Exact Mass287.02
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESFC(F)(F)C(c1nc(-c2ncn[nH]2)no1)C(F)(F)F
InChIInChI=1S/C7H3F6N5O/c8-6(9,10)2(7(11,12)13)5-16-4(18-19-5)3-14-1-15-17-3/h1-2H,(H,14,15,17)
InChIKeyAEJKRBHVFFYNRL-UHFFFAOYSA-N
XLogP2.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1H-1,2,4-triazol-5-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 62946117
1,1,1-trifluoro-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346676
1,1-difluoro-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346798
1,1,1-trifluoro-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63743198
3-(1H-1,2,4-triazol-5-yl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 65713839
2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79257855
1,1,1-trifluoro-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798933
5-[2-(2,2-difluoroethoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 103212094
5-tert-butyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944122
5-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944124
5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946634
5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 55211986

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 103310944) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is FC(F)(F)C(c1nc(-c2ncn[nH]2)no1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is AEJKRBHVFFYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6N5O/c8-6(9,10)2(7(11,12)13)5-16-4(18-19-5)3-14-1-15-17-3/h1-2H,(H,14,15,17).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 287.12 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103310944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).