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

C10H11F3N2O — CID 67986517

IUPAC2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1nnc(C2[C@H]3CCC[C@@H]23)o1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)4-7-14-15-9(16-7)8-5-2-1-3-6(5)8/h5-6,8H,1-4H2/t5-,6+,8?
InChIKeyPYNQSMPXHZNQTA-OFWQXNEASA-N
MW232.20 g/mol
LogP2.69
Rot. Bonds2

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

2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole (PubChem CID 67986517) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
PubChem CID67986517
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1nnc(C2[C@H]3CCC[C@@H]23)o1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)4-7-14-15-9(16-7)8-5-2-1-3-6(5)8/h5-6,8H,1-4H2/t5-,6+,8?
InChIKeyPYNQSMPXHZNQTA-OFWQXNEASA-N
XLogP2.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.69
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-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole (CID 67986517) is 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole is FC(F)(F)Cc1nnc(C2[C@H]3CCC[C@@H]23)o1.
What is the InChIKey of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The InChIKey is PYNQSMPXHZNQTA-OFWQXNEASA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)4-7-14-15-9(16-7)8-5-2-1-3-6(5)8/h5-6,8H,1-4H2/t5-,6+,8?.
What are the key properties of 2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
2-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole has a molecular weight of 232.20 g/mol, XLogP of 2.69, 2 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-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 67986517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).