N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C11H16F3N3O — CID 55202623

IUPACN-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O/c1-15-8-5-3-2-4-7(8)10-16-9(17-18-10)6-11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyNCCCQUDMFSBHFV-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.42
Rot. Bonds3

About N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 55202623) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID55202623
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O/c1-15-8-5-3-2-4-7(8)10-16-9(17-18-10)6-11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyNCCCQUDMFSBHFV-UHFFFAOYSA-N
XLogP2.42
TPSA50.95 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 55202623) is N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CNC1CCCCC1c1nc(CC(F)(F)F)no1.
What is the InChIKey of N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is NCCCQUDMFSBHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-15-8-5-3-2-4-7(8)10-16-9(17-18-10)6-11(12,13)14/h7-8,15H,2-6H2,1H3.
What are the key properties of N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 55202623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).