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

C12H18F3N3O2 — CID 103472671

IUPAC[4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1CCC(c2nc(COCC(F)(F)F)no2)CC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)7-19-6-10-17-11(20-18-10)9-3-1-8(5-16)2-4-9/h8-9H,1-7,16H2
InChIKeyUPCQNNCOKKNVQY-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.38
Rot. Bonds5

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

[4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 103472671) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is [4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID103472671
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name[4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1CCC(c2nc(COCC(F)(F)F)no2)CC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)7-19-6-10-17-11(20-18-10)9-3-1-8(5-16)2-4-9/h8-9H,1-7,16H2
InChIKeyUPCQNNCOKKNVQY-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 103472671) is [4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is NCC1CCC(c2nc(COCC(F)(F)F)no2)CC1.
What is the InChIKey of [4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is UPCQNNCOKKNVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c13-12(14,15)7-19-6-10-17-11(20-18-10)9-3-1-8(5-16)2-4-9/h8-9H,1-7,16H2.
What are the key properties of [4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 293.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 103472671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).