cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine

C11H16F3N3O — CID 61392946

IUPACcyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNC(c1nc(CC(F)(F)F)no1)C1CCCCC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)6-8-16-10(18-17-8)9(15)7-4-2-1-3-5-7/h7,9H,1-6,15H2
InChIKeyKNUZXCCFOSTRPZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.75
Rot. Bonds3

About cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine

cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 61392946) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID61392946
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Namecyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNC(c1nc(CC(F)(F)F)no1)C1CCCCC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)6-8-16-10(18-17-8)9(15)7-4-2-1-3-5-7/h7,9H,1-6,15H2
InChIKeyKNUZXCCFOSTRPZ-UHFFFAOYSA-N
XLogP2.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 61392946) is cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine is NC(c1nc(CC(F)(F)F)no1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is KNUZXCCFOSTRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)6-8-16-10(18-17-8)9(15)7-4-2-1-3-5-7/h7,9H,1-6,15H2.
What are the key properties of cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 263.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 61392946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).