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

C10H13F3N2O — CID 71130800

IUPAC2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)6-8-14-15-9(16-8)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyCVJVLBSADFUJDS-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.22
Rot. Bonds2

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

2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole (PubChem CID 71130800) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
PubChem CID71130800
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)6-8-14-15-9(16-8)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyCVJVLBSADFUJDS-UHFFFAOYSA-N
XLogP3.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole (CID 71130800) is 2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole is FC(F)(F)Cc1nnc(C2CCCCC2)o1.
What is the InChIKey of 2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The InChIKey is CVJVLBSADFUJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)6-8-14-15-9(16-8)7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole has a molecular weight of 234.22 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71130800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).