[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol

C6H7F3N2O2 — CID 79964860

IUPAC[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)2-1-4-10-5(3-12)13-11-4/h12H,1-3H2
InChIKeyKUPPEJHJZQTKSB-UHFFFAOYSA-N
MW196.13 g/mol
LogP1.06
Rot. Bonds3

About [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol

[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 79964860) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID79964860
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)2-1-4-10-5(3-12)13-11-4/h12H,1-3H2
InChIKeyKUPPEJHJZQTKSB-UHFFFAOYSA-N
XLogP1.06
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol (CID 79964860) is [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is KUPPEJHJZQTKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c7-6(8,9)2-1-4-10-5(3-12)13-11-4/h12H,1-3H2.
What are the key properties of [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 196.13 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 79964860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).