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

C8H12F2N2O3 — CID 103151136

IUPAC(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(CCOCC(F)F)no1
InChIInChI=1S/C8H12F2N2O3/c1-5(13)8-11-7(12-15-8)2-3-14-4-6(9)10/h5-6,13H,2-4H2,1H3/t5-/m0/s1
InChIKeyCHMCNYMBGVMNRB-YFKPBYRVSA-N
MW222.19 g/mol
LogP0.95
Rot. Bonds6

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

(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 103151136) has the molecular formula C8H12F2N2O3 and a molecular weight of 222.19 g/mol. Its IUPAC name is (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID103151136
Molecular FormulaC8H12F2N2O3
Molecular Weight222.19 g/mol
Exact Mass222.08
IUPAC Name(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(CCOCC(F)F)no1
InChIInChI=1S/C8H12F2N2O3/c1-5(13)8-11-7(12-15-8)2-3-14-4-6(9)10/h5-6,13H,2-4H2,1H3/t5-/m0/s1
InChIKeyCHMCNYMBGVMNRB-YFKPBYRVSA-N
XLogP0.95
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 103151136) is (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is C[C@H](O)c1nc(CCOCC(F)F)no1.
What is the InChIKey of (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is CHMCNYMBGVMNRB-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12F2N2O3/c1-5(13)8-11-7(12-15-8)2-3-14-4-6(9)10/h5-6,13H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 222.19 g/mol, XLogP of 0.95, 6 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-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 103151136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).