3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid

C11H13F3N2O4 — CID 103552172

IUPAC3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(COCC(F)(F)F)no2)C1
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)5-19-4-8-15-9(20-16-8)6-1-2-7(3-6)10(17)18/h6-7H,1-5H2,(H,17,18)
InChIKeyCAMFZCLMAAEZJB-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.12
Rot. Bonds5

About 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid

3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 103552172) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID103552172
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(COCC(F)(F)F)no2)C1
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)5-19-4-8-15-9(20-16-8)6-1-2-7(3-6)10(17)18/h6-7H,1-5H2,(H,17,18)
InChIKeyCAMFZCLMAAEZJB-UHFFFAOYSA-N
XLogP2.12
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 103552172) is 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2nc(COCC(F)(F)F)no2)C1.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is CAMFZCLMAAEZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)5-19-4-8-15-9(20-16-8)6-1-2-7(3-6)10(17)18/h6-7H,1-5H2,(H,17,18).
What are the key properties of 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid has a molecular weight of 294.23 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).