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

C9H4F6N2OS — CID 19334507

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFC(F)(F)C(c1nc(-c2cccs2)no1)C(F)(F)F
InChIInChI=1S/C9H4F6N2OS/c10-8(11,12)5(9(13,14)15)7-16-6(17-18-7)4-2-1-3-19-4/h1-3,5H
InChIKeyXLTAIYJPGXWSIL-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.01
Rot. Bonds2

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

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 19334507) has the molecular formula C9H4F6N2OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID19334507
Molecular FormulaC9H4F6N2OS
Molecular Weight302.20 g/mol
Exact Mass301.99
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFC(F)(F)C(c1nc(-c2cccs2)no1)C(F)(F)F
InChIInChI=1S/C9H4F6N2OS/c10-8(11,12)5(9(13,14)15)7-16-6(17-18-7)4-2-1-3-19-4/h1-3,5H
InChIKeyXLTAIYJPGXWSIL-UHFFFAOYSA-N
XLogP4.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 103310053
(2S,6S)-2,6-dimethyl-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98950692
3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43095881
5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33298119
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633
5-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95153364
3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332878
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 19334507) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is FC(F)(F)C(c1nc(-c2cccs2)no1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is XLTAIYJPGXWSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2OS/c10-8(11,12)5(9(13,14)15)7-16-6(17-18-7)4-2-1-3-19-4/h1-3,5H.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 302.20 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19334507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).