3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine

C10H16F3N3O — CID 143344649

IUPAC3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine
SMILESCN.FC(F)(F)c1nc(C2CCCCC2)no1
InChIInChI=1S/C9H11F3N2O.CH5N/c10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6;1-2/h6H,1-5H2;2H2,1H3
InChIKeyFYLVMZFPXBRDNR-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.71
Rot. Bonds1

About 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine

3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine (PubChem CID 143344649) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine.

Molecular Properties

Compound Name3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine
PubChem CID143344649
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine
SMILESCN.FC(F)(F)c1nc(C2CCCCC2)no1
InChIInChI=1S/C9H11F3N2O.CH5N/c10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6;1-2/h6H,1-5H2;2H2,1H3
InChIKeyFYLVMZFPXBRDNR-UHFFFAOYSA-N
XLogP2.71
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine?
The IUPAC name of 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine (CID 143344649) is 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine.
What is the SMILES notation for 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine?
The canonical SMILES for 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine is CN.FC(F)(F)c1nc(C2CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine?
The InChIKey is FYLVMZFPXBRDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.CH5N/c10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6;1-2/h6H,1-5H2;2H2,1H3.
What are the key properties of 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine?
3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine has a molecular weight of 251.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(trifluoromethyl)-1,2,4-oxadiazole;methanamine is sourced from PubChem (CID 143344649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).