2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C9H9F3N2O — CID 67986516

IUPAC2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2[C@H]3CCC[C@@H]23)o1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8-14-13-7(15-8)6-4-2-1-3-5(4)6/h4-6H,1-3H2/t4-,5+,6?
InChIKeyGNJNKKCZVQIRPT-XEAPYIEGSA-N
MW218.18 g/mol
LogP2.60
Rot. Bonds1

About 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 67986516) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID67986516
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2[C@H]3CCC[C@@H]23)o1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8-14-13-7(15-8)6-4-2-1-3-5(4)6/h4-6H,1-3H2/t4-,5+,6?
InChIKeyGNJNKKCZVQIRPT-XEAPYIEGSA-N
XLogP2.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 67986516) is 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(C2[C@H]3CCC[C@@H]23)o1.
What is the InChIKey of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is GNJNKKCZVQIRPT-XEAPYIEGSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)8-14-13-7(15-8)6-4-2-1-3-5(4)6/h4-6H,1-3H2/t4-,5+,6?.
What are the key properties of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 218.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 67986516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).