5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole

C6H7F3N2O — CID 174107251

IUPAC5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1ncno1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-5(2,6(7,8)9)4-10-3-11-12-4/h3H,1-2H3
InChIKeyUCHHONYDKXWMSD-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.91
Rot. Bonds1

About 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole

5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 174107251) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID174107251
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1ncno1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-5(2,6(7,8)9)4-10-3-11-12-4/h3H,1-2H3
InChIKeyUCHHONYDKXWMSD-UHFFFAOYSA-N
XLogP1.91
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Difluoromethyl)-1,2,4-oxadiazole
CID 17890397
5-(1,1,2,2,2-Pentafluoroethyl)-1,2,4-oxadiazole
CID 91096733
5-(2-Fluoropropan-2-yl)-1,2,4-oxadiazole
CID 123138951
5-(1,1-Difluoroethyl)-1,2,4-oxadiazole
CID 141330262
5-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazole
CID 152548379
5-(2,2-Difluorocyclopropyl)-1,2,4-oxadiazole
CID 153974527
5-(1-Fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
CID 157213513
5-[1-(Fluoromethyl)cyclopropyl]-1,2,4-oxadiazole
CID 160935785
5-[1-(Trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
CID 161108860
5-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazole
CID 176251194
1,1,1-Trifluoro-2-(1,2,4-oxadiazol-5-yl)propan-2-amine
CID 102993928
3-Iodo-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
CID 164648947

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole (CID 174107251) is 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole is CC(C)(c1ncno1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is UCHHONYDKXWMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-5(2,6(7,8)9)4-10-3-11-12-4/h3H,1-2H3.
What are the key properties of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole?
5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 180.13 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 174107251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).