(1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol

C8H11F3N2O3 — CID 103151107

IUPAC(1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O3/c1-5(14)7-12-6(13-16-7)2-3-15-4-8(9,10)11/h5,14H,2-4H2,1H3/t5-/m0/s1
InChIKeyNEHJFJNOACDQTA-YFKPBYRVSA-N
MW240.18 g/mol
LogP1.24
Rot. Bonds5

About (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol

(1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 103151107) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID103151107
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name(1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O3/c1-5(14)7-12-6(13-16-7)2-3-15-4-8(9,10)11/h5,14H,2-4H2,1H3/t5-/m0/s1
InChIKeyNEHJFJNOACDQTA-YFKPBYRVSA-N
XLogP1.24
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol 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 (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 103151107) is (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is C[C@H](O)c1nc(CCOCC(F)(F)F)no1.
What is the InChIKey of (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is NEHJFJNOACDQTA-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-5(14)7-12-6(13-16-7)2-3-15-4-8(9,10)11/h5,14H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 240.18 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 103151107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).