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

C12H18F3N3O2 — CID 103145975

IUPAC1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(CCOCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)8-19-7-4-9-17-10(20-18-9)11(16)5-2-1-3-6-11/h1-8,16H2
InChIKeySJVJSJSSKXWJFB-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.31
Rot. Bonds5

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

1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 103145975) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID103145975
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(CCOCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)8-19-7-4-9-17-10(20-18-9)11(16)5-2-1-3-6-11/h1-8,16H2
InChIKeySJVJSJSSKXWJFB-UHFFFAOYSA-N
XLogP2.31
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 93675388
Cyclohexyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61392946
1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 61392972
1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61392973
1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61392983
4-Methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61392984
3-Methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61392985
4-Ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61392997
2-Ethyl-2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine
CID 64108807
2-Ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine
CID 64108808
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64673217
1-[5-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65714834

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 103145975) is 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1(c2nc(CCOCC(F)(F)F)no2)CCCCC1.
What is the InChIKey of 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is SJVJSJSSKXWJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c13-12(14,15)8-19-7-4-9-17-10(20-18-9)11(16)5-2-1-3-6-11/h1-8,16H2.
What are the key properties of 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 293.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 103145975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).