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

C6H5F5N2O2 — CID 54324210

IUPAC1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H5F5N2O2/c1-2(14)3-12-4(15-13-3)5(7,8)6(9,10)11/h2,14H,1H3
InChIKeySTTSZMSMSMHWAZ-UHFFFAOYSA-N
MW232.11 g/mol
LogP1.78
Rot. Bonds2

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

1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 54324210) has the molecular formula C6H5F5N2O2 and a molecular weight of 232.11 g/mol. Its IUPAC name is 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID54324210
Molecular FormulaC6H5F5N2O2
Molecular Weight232.11 g/mol
Exact Mass232.03
IUPAC Name1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H5F5N2O2/c1-2(14)3-12-4(15-13-3)5(7,8)6(9,10)11/h2,14H,1H3
InChIKeySTTSZMSMSMHWAZ-UHFFFAOYSA-N
XLogP1.78
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 54324210) is 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(O)c1noc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is STTSZMSMSMHWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2O2/c1-2(14)3-12-4(15-13-3)5(7,8)6(9,10)11/h2,14H,1H3.
What are the key properties of 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 232.11 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 54324210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).