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

C6H9F2N3O2 — CID 130605155

IUPAC2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(F)(F)c1nc(C(N)CO)no1
InChIInChI=1S/C6H9F2N3O2/c1-6(7,8)5-10-4(11-13-5)3(9)2-12/h3,12H,2,9H2,1H3
InChIKeyLOILINNKKALKEY-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.17
Rot. Bonds3

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

2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 130605155) has the molecular formula C6H9F2N3O2 and a molecular weight of 193.15 g/mol. Its IUPAC name is 2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID130605155
Molecular FormulaC6H9F2N3O2
Molecular Weight193.15 g/mol
Exact Mass193.07
IUPAC Name2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(F)(F)c1nc(C(N)CO)no1
InChIInChI=1S/C6H9F2N3O2/c1-6(7,8)5-10-4(11-13-5)3(9)2-12/h3,12H,2,9H2,1H3
InChIKeyLOILINNKKALKEY-UHFFFAOYSA-N
XLogP0.17
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633421
2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633252
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
(2S)-2-[[4-amino-2-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-4-oxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid
CID 129026794
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine
CID 43559931
2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
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2-propoxy-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634345
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634696
2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633234
N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635365
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 103594655

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 130605155) is 2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(F)(F)c1nc(C(N)CO)no1.
What is the InChIKey of 2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is LOILINNKKALKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O2/c1-6(7,8)5-10-4(11-13-5)3(9)2-12/h3,12H,2,9H2,1H3.
What are the key properties of 2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 193.15 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-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 130605155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).