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

C12H18F3N3O — CID 61392997

IUPAC4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C12H18F3N3O/c1-2-8-3-5-11(16,6-4-8)10-17-9(18-19-10)7-12(13,14)15/h8H,2-7,16H2,1H3
InChIKeyAOODNDDLKRXUHG-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.93
Rot. Bonds3

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

4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 61392997) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID61392997
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C12H18F3N3O/c1-2-8-3-5-11(16,6-4-8)10-17-9(18-19-10)7-12(13,14)15/h8H,2-7,16H2,1H3
InChIKeyAOODNDDLKRXUHG-UHFFFAOYSA-N
XLogP2.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 61392997) is 4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCC1CCC(N)(c2nc(CC(F)(F)F)no2)CC1.
What is the InChIKey of 4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is AOODNDDLKRXUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-8-3-5-11(16,6-4-8)10-17-9(18-19-10)7-12(13,14)15/h8H,2-7,16H2,1H3.
What are the key properties of 4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 277.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 61392997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).