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

C6H7F3N2O3 — CID 103208664

IUPAC[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(COCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2O3/c7-6(8,9)3-13-2-5-10-4(1-12)11-14-5/h12H,1-3H2
InChIKeyYPWWXEPVOATMFH-UHFFFAOYSA-N
MW212.13 g/mol
LogP0.64
Rot. Bonds4

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

[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 103208664) has the molecular formula C6H7F3N2O3 and a molecular weight of 212.13 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID103208664
Molecular FormulaC6H7F3N2O3
Molecular Weight212.13 g/mol
Exact Mass212.04
IUPAC Name[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(COCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2O3/c7-6(8,9)3-13-2-5-10-4(1-12)11-14-5/h12H,1-3H2
InChIKeyYPWWXEPVOATMFH-UHFFFAOYSA-N
XLogP0.64
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.13
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Methyl-1,2,4-oxadiazol-5-yl)methanol
CID 14072448
Ethyl 3-(trifluoromethyl)-1,2,4-oxadiazole-5-carboxylate
CID 52987851
2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 54593302
(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-YL)methanol
CID 53401468
[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 56763752
3-(1,1-Difluoropropoxymethyl)-5-methyl-1,2,4-oxadiazole
CID 68081263
5-Methyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 89983913
3-(1,1-Difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole
CID 90124930
2-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61392850
[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 63757782
2-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 79953712
[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanol
CID 79964860

Frequently Asked Questions

What is the IUPAC name of [5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol (CID 103208664) is [5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(COCC(F)(F)F)n1.
What is the InChIKey of [5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is YPWWXEPVOATMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O3/c7-6(8,9)3-13-2-5-10-4(1-12)11-14-5/h12H,1-3H2.
What are the key properties of [5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 212.13 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 103208664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).