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

C7H9F3N2O3 — CID 103208667

IUPAC1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O3/c1-4(13)6-11-5(15-12-6)2-14-3-7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyXYTRANWUHUVLHV-UHFFFAOYSA-N
MW226.15 g/mol
LogP1.20
Rot. Bonds4

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

1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 103208667) has the molecular formula C7H9F3N2O3 and a molecular weight of 226.15 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID103208667
Molecular FormulaC7H9F3N2O3
Molecular Weight226.15 g/mol
Exact Mass226.06
IUPAC Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O3/c1-4(13)6-11-5(15-12-6)2-14-3-7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyXYTRANWUHUVLHV-UHFFFAOYSA-N
XLogP1.20
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Ethyl-1,2,4-oxadiazol-5-yl)methanol
CID 28063865
1-(5-Methyl-1,2,4-oxadiazol-3-yl)ethan-1-ol
CID 75525832
2-((3-Ethyl-1,2,4-oxadiazol-5-yl)methoxy)acetic acid
CID 61312305
1-[5-(1,1,2,2,2-Pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 54324210
3-(1,1-Difluoropropoxymethyl)-5-methyl-1,2,4-oxadiazole
CID 68081263
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
Ethyl 3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole-5-carboxylate
CID 63358074

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 103208667) is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(O)c1noc(COCC(F)(F)F)n1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is XYTRANWUHUVLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3/c1-4(13)6-11-5(15-12-6)2-14-3-7(8,9)10/h4,13H,2-3H2,1H3.
What are the key properties of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 226.15 g/mol, XLogP of 1.20, 4 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]ethanol is sourced from PubChem (CID 103208667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).