4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid

C5H3F3N2O3 — CID 175584208

IUPAC4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1C(F)C(F)F
InChIInChI=1S/C5H3F3N2O3/c6-1(4(7)8)2-3(5(11)12)10-13-9-2/h1,4H,(H,11,12)
InChIKeyORMNWDOVDYORBI-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.04
Rot. Bonds3

About 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid

4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 175584208) has the molecular formula C5H3F3N2O3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID175584208
Molecular FormulaC5H3F3N2O3
Molecular Weight196.08 g/mol
Exact Mass196.01
IUPAC Name4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1C(F)C(F)F
InChIInChI=1S/C5H3F3N2O3/c6-1(4(7)8)2-3(5(11)12)10-13-9-2/h1,4H,(H,11,12)
InChIKeyORMNWDOVDYORBI-UHFFFAOYSA-N
XLogP1.04
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-1,2,5-oxadiazole-3-carboxylic acid
CID 83913984
4-(2,2,2-Trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid
CID 154984063
4-(Difluoromethyl)-1,2,5-oxadiazole-3-carboxylic acid
CID 154984127
Ethyl 4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylate
CID 154987811
Methyl 4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylate
CID 168174483
Fluoro 4-propan-2-yl-1,2,5-oxadiazole-3-carboxylate
CID 169843965
4-(2,2-Difluorocyclopropyl)-1,2,5-oxadiazole-3-carboxylic acid
CID 172271112
4-(3,3,3-Trifluoropropyl)-1,2,5-oxadiazole-3-carboxylic acid
CID 174354916
Ethyl 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylate
CID 175482261
Methyl 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylate
CID 175584309
5-Oxido-4-(3,3,3-trifluoropropyl)-1,2,5-oxadiazol-5-ium-3-carboxylic acid
CID 176062843
4-(3-Fluoropropyl)-1,2,5-oxadiazole-3-carboxylic acid
CID 176076286

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid (CID 175584208) is 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid is O=C(O)c1nonc1C(F)C(F)F.
What is the InChIKey of 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is ORMNWDOVDYORBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O3/c6-1(4(7)8)2-3(5(11)12)10-13-9-2/h1,4H,(H,11,12).
What are the key properties of 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid?
4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 196.08 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 175584208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).