1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C8H11F3N2O3 — CID 103208670

IUPAC1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O3/c1-2-5(14)7-12-6(16-13-7)3-15-4-8(9,10)11/h5,14H,2-4H2,1H3
InChIKeyMHQWSIPRZUUAKQ-UHFFFAOYSA-N
MW240.18 g/mol
LogP1.59
Rot. Bonds5

About 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103208670) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103208670
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O3/c1-2-5(14)7-12-6(16-13-7)3-15-4-8(9,10)11/h5,14H,2-4H2,1H3
InChIKeyMHQWSIPRZUUAKQ-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 91381499
1-(3-Ethyl-1,2,4-oxadiazol-5-yl)-2,2,2-trifluoroethanol
CID 123837661
5-(Diethoxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 55243253
1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl 3-(2,2,2-trifluoroethoxy)propanoate
CID 60434742
2-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61392850
1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349418
1,1,1-Trifluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349562
1,1-Difluoro-3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349696
3-[3-(1-Ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 64534441
3-[3-(1-Ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 64534442
3-[3-(1,4-Dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 65351453
3-[3-(1,4-Dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 65351604

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103208670) is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(COCC(F)(F)F)n1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is MHQWSIPRZUUAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-2-5(14)7-12-6(16-13-7)3-15-4-8(9,10)11/h5,14H,2-4H2,1H3.
What are the key properties of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 240.18 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103208670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).