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

C11H13F3N2O2 — CID 106482940

IUPAC2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-9-15-10(18-16-9)5-7-3-1-2-4-8(7)17/h7H,1-6H2
InChIKeyKJMWAAQXKNXUBW-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.48
Rot. Bonds3

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

2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one (PubChem CID 106482940) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
PubChem CID106482940
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-9-15-10(18-16-9)5-7-3-1-2-4-8(7)17/h7H,1-6H2
InChIKeyKJMWAAQXKNXUBW-UHFFFAOYSA-N
XLogP2.48
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one with MolForge

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Related Compounds

2-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482965
2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482959
2-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106483053
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483124
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-one
CID 106482898
2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63345102
2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 107924454
2-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482954
2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482970
2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482937
[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61392905
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846373

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one (CID 106482940) is 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one is O=C1CCCCC1Cc1nc(CC(F)(F)F)no1.
What is the InChIKey of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The InChIKey is KJMWAAQXKNXUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)6-9-15-10(18-16-9)5-7-3-1-2-4-8(7)17/h7H,1-6H2.
What are the key properties of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one has a molecular weight of 262.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 106482940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).