2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole

C9H12F2N2O — CID 146389199

IUPAC2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C9H12F2N2O/c10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyYPEMJXHUTIKOJB-UHFFFAOYSA-N
MW202.20 g/mol
LogP3.05
Rot. Bonds2

About 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole

2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 146389199) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID146389199
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C9H12F2N2O/c10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyYPEMJXHUTIKOJB-UHFFFAOYSA-N
XLogP3.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole (CID 146389199) is 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(C2CCCCC2)o1.
What is the InChIKey of 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is YPEMJXHUTIKOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole?
2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 202.20 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 146389199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).