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

C11H15F3N2O2 — CID 106483124

IUPAC2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)6-9-15-10(18-16-9)5-7-3-1-2-4-8(7)17/h7-8,17H,1-6H2
InChIKeyHHBAQDLCUKJRFK-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.27
Rot. Bonds3

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

2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol (PubChem CID 106483124) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
PubChem CID106483124
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)6-9-15-10(18-16-9)5-7-3-1-2-4-8(7)17/h7-8,17H,1-6H2
InChIKeyHHBAQDLCUKJRFK-UHFFFAOYSA-N
XLogP2.27
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482940
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483233
2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483179
[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61392905
2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 106483235
2-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483201
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846373
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483607
5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127388306
5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127712347
2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483360
6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 154762799

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol (CID 106483124) is 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol is OC1CCCCC1Cc1nc(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-ol?
The InChIKey is HHBAQDLCUKJRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)6-9-15-10(18-16-9)5-7-3-1-2-4-8(7)17/h7-8,17H,1-6H2.
What are the key properties of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol?
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol has a molecular weight of 264.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 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-ol is sourced from PubChem (CID 106483124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).