2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole

C9H10BrF3N2O — CID 114771405

IUPAC2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
SMILESFC(F)(F)C1CCC(c2nnc(Br)o2)CC1
InChIInChI=1S/C9H10BrF3N2O/c10-8-15-14-7(16-8)5-1-3-6(4-2-5)9(11,12)13/h5-6H,1-4H2
InChIKeyHFJOXHBZZWSGMQ-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.67
Rot. Bonds1

About 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole

2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole (PubChem CID 114771405) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
PubChem CID114771405
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
SMILESFC(F)(F)C1CCC(c2nnc(Br)o2)CC1
InChIInChI=1S/C9H10BrF3N2O/c10-8-15-14-7(16-8)5-1-3-6(4-2-5)9(11,12)13/h5-6H,1-4H2
InChIKeyHFJOXHBZZWSGMQ-UHFFFAOYSA-N
XLogP3.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole (CID 114771405) is 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole is FC(F)(F)C1CCC(c2nnc(Br)o2)CC1.
What is the InChIKey of 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
The InChIKey is HFJOXHBZZWSGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c10-8-15-14-7(16-8)5-1-3-6(4-2-5)9(11,12)13/h5-6H,1-4H2.
What are the key properties of 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole has a molecular weight of 299.09 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole is sourced from PubChem (CID 114771405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).