1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol

C11H15F3N2O2 — CID 138607323

IUPAC1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol
SMILESCC(O)C1CCC(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C11H15F3N2O2/c1-6(17)7-2-4-8(5-3-7)9-15-10(16-18-9)11(12,13)14/h6-8,17H,2-5H2,1H3
InChIKeyUQBCUMWLJHIGLG-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.74
Rot. Bonds2

About 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol

1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol (PubChem CID 138607323) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol
PubChem CID138607323
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol
SMILESCC(O)C1CCC(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C11H15F3N2O2/c1-6(17)7-2-4-8(5-3-7)9-15-10(16-18-9)11(12,13)14/h6-8,17H,2-5H2,1H3
InChIKeyUQBCUMWLJHIGLG-UHFFFAOYSA-N
XLogP2.74
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol?
The IUPAC name of 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol (CID 138607323) is 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol is CC(O)C1CCC(c2nc(C(F)(F)F)no2)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol?
The InChIKey is UQBCUMWLJHIGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-6(17)7-2-4-8(5-3-7)9-15-10(16-18-9)11(12,13)14/h6-8,17H,2-5H2,1H3.
What are the key properties of 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol?
1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol has a molecular weight of 264.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]ethanol is sourced from PubChem (CID 138607323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).