1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C12H17F3N2O2 — CID 55202791

IUPAC1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC1CCC(c2noc(CC(O)C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N2O2/c1-7-2-4-8(5-3-7)11-16-10(19-17-11)6-9(18)12(13,14)15/h7-9,18H,2-6H2,1H3
InChIKeyRLBSJOBPFKEAIH-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.83
Rot. Bonds3

About 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 55202791) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID55202791
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC1CCC(c2noc(CC(O)C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N2O2/c1-7-2-4-8(5-3-7)11-16-10(19-17-11)6-9(18)12(13,14)15/h7-9,18H,2-6H2,1H3
InChIKeyRLBSJOBPFKEAIH-UHFFFAOYSA-N
XLogP2.83
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 55202791) is 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CC1CCC(c2noc(CC(O)C(F)(F)F)n2)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is RLBSJOBPFKEAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-7-2-4-8(5-3-7)11-16-10(19-17-11)6-9(18)12(13,14)15/h7-9,18H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 278.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 55202791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).