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

C6H8F3N3O2 — CID 61392832

IUPAC2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(CO)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O2/c7-6(8,9)1-4-11-5(14-12-4)3(10)2-13/h3,13H,1-2,10H2
InChIKeyNCVWFYCYODTDTA-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.17
Rot. Bonds3

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

2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 61392832) has the molecular formula C6H8F3N3O2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID61392832
Molecular FormulaC6H8F3N3O2
Molecular Weight211.14 g/mol
Exact Mass211.06
IUPAC Name2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(CO)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O2/c7-6(8,9)1-4-11-5(14-12-4)3(10)2-13/h3,13H,1-2,10H2
InChIKeyNCVWFYCYODTDTA-UHFFFAOYSA-N
XLogP0.17
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 61392832) is 2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol is NC(CO)c1nc(CC(F)(F)F)no1.
What is the InChIKey of 2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is NCVWFYCYODTDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2/c7-6(8,9)1-4-11-5(14-12-4)3(10)2-13/h3,13H,1-2,10H2.
What are the key properties of 2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 211.14 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 61392832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).