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

C8H13F2N3O3 — CID 103211802

IUPAC2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(CCOCC(F)F)n1
InChIInChI=1S/C8H13F2N3O3/c9-6(10)4-15-2-1-7-12-8(13-16-7)5(11)3-14/h5-6,14H,1-4,11H2
InChIKeyVETXESNRZWAROV-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.11
Rot. Bonds7

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

2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 103211802) has the molecular formula C8H13F2N3O3 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID103211802
Molecular FormulaC8H13F2N3O3
Molecular Weight237.21 g/mol
Exact Mass237.09
IUPAC Name2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(CCOCC(F)F)n1
InChIInChI=1S/C8H13F2N3O3/c9-6(10)4-15-2-1-7-12-8(13-16-7)5(11)3-14/h5-6,14H,1-4,11H2
InChIKeyVETXESNRZWAROV-UHFFFAOYSA-N
XLogP-0.11
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 103211802) is 2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(CCOCC(F)F)n1.
What is the InChIKey of 2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is VETXESNRZWAROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O3/c9-6(10)4-15-2-1-7-12-8(13-16-7)5(11)3-14/h5-6,14H,1-4,11H2.
What are the key properties of 2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 237.21 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 103211802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).