2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole

C9H12F3N3O2 — CID 175746312

IUPAC2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)OCc1nnc([C@H]2CCCCN2)o1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)16-5-7-14-15-8(17-7)6-3-1-2-4-13-6/h6,13H,1-5H2/t6-/m1/s1
InChIKeyMRFSEYCBZKLHNJ-ZCFIWIBFSA-N
MW251.21 g/mol
LogP1.92
Rot. Bonds3

About 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole

2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole (PubChem CID 175746312) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole
PubChem CID175746312
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)OCc1nnc([C@H]2CCCCN2)o1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)16-5-7-14-15-8(17-7)6-3-1-2-4-13-6/h6,13H,1-5H2/t6-/m1/s1
InChIKeyMRFSEYCBZKLHNJ-ZCFIWIBFSA-N
XLogP1.92
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole (CID 175746312) is 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole is FC(F)(F)OCc1nnc([C@H]2CCCCN2)o1.
What is the InChIKey of 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole?
The InChIKey is MRFSEYCBZKLHNJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)16-5-7-14-15-8(17-7)6-3-1-2-4-13-6/h6,13H,1-5H2/t6-/m1/s1.
What are the key properties of 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole?
2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole has a molecular weight of 251.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 175746312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).