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

C8H11F3N2O2 — CID 63345715

IUPAC1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC(C)c1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O2/c1-4(2)7-12-6(15-13-7)3-5(14)8(9,10)11/h4-5,14H,3H2,1-2H3
InChIKeyYRCRJSUSIKLQTR-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.66
Rot. Bonds3

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

1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 63345715) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID63345715
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC(C)c1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O2/c1-4(2)7-12-6(15-13-7)3-5(14)8(9,10)11/h4-5,14H,3H2,1-2H3
InChIKeyYRCRJSUSIKLQTR-UHFFFAOYSA-N
XLogP1.66
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.66
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-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 63345715) is 1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is CC(C)c1noc(CC(O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is YRCRJSUSIKLQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-4(2)7-12-6(15-13-7)3-5(14)8(9,10)11/h4-5,14H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
1,1,1-trifluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 224.18 g/mol, XLogP of 1.66, 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-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 63345715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).