3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

C13H11F3N2O — CID 155763838

IUPAC3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc3c(c2)CCCC3)no1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)12-17-11(18-19-12)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKeyXGSDFEXCEYVQRW-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.63
Rot. Bonds1

About 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 155763838) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID155763838
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc3c(c2)CCCC3)no1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)12-17-11(18-19-12)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKeyXGSDFEXCEYVQRW-UHFFFAOYSA-N
XLogP3.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 155763838) is 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccc3c(c2)CCCC3)no1.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is XGSDFEXCEYVQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)12-17-11(18-19-12)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2.
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 268.24 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155763838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).