5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C4H3F3N2O — CID 152548379

IUPAC5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1ncno1
InChIInChI=1S/C4H3F3N2O/c5-4(6,7)1-3-8-2-9-10-3/h2H,1H2
InChIKeyYMYSZZSCXMZINT-UHFFFAOYSA-N
MW152.08 g/mol
LogP1.17
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 152548379) has the molecular formula C4H3F3N2O and a molecular weight of 152.08 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID152548379
Molecular FormulaC4H3F3N2O
Molecular Weight152.08 g/mol
Exact Mass152.02
IUPAC Name5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1ncno1
InChIInChI=1S/C4H3F3N2O/c5-4(6,7)1-3-8-2-9-10-3/h2H,1H2
InChIKeyYMYSZZSCXMZINT-UHFFFAOYSA-N
XLogP1.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.08
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Trifluoromethyl)-1,2,4-oxadiazole
CID 20297539
5-(Fluoromethyl)-1,2,4-oxadiazole
CID 17890390
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-Difluorocyclopropyl)-1,2,4-oxadiazole
CID 153974527
5-(1-Fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
CID 157213513
5-[1-(Trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
CID 161108860
5-(Trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
CID 162336372
5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole
CID 163472173
5-(1,1,1-Trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
CID 174107251

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 152548379) is 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1ncno1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is YMYSZZSCXMZINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O/c5-4(6,7)1-3-8-2-9-10-3/h2H,1H2.
What are the key properties of 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 152.08 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 152548379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).