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

C11H16F3N3O2 — CID 103472435

IUPAC1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(COCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-18-6-8-16-9(19-17-8)10(15)4-2-1-3-5-10/h1-7,15H2
InChIKeyJFONMQWGLFNAQR-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.27
Rot. Bonds4

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

1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 103472435) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID103472435
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(COCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-18-6-8-16-9(19-17-8)10(15)4-2-1-3-5-10/h1-7,15H2
InChIKeyJFONMQWGLFNAQR-UHFFFAOYSA-N
XLogP2.27
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-3-(1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl)urea
CID 71792013
N-(1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl)cyclopropanecarboxamide
CID 53181921
N~1~-[1-(3-Methyl-1,2,4-oxadiazol-5-YL)cyclohexyl]-1-cyclobutanecarboxamide
CID 53181922
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]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
3-Methyl-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79952685
1-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 79952700

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 103472435) is 1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1(c2nc(COCC(F)(F)F)no2)CCCCC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is JFONMQWGLFNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)7-18-6-8-16-9(19-17-8)10(15)4-2-1-3-5-10/h1-7,15H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 279.26 g/mol, XLogP of 2.27, 4 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-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 103472435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).