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

C5H5F3N2O2 — CID 130710201

IUPAC2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol
SMILESOCCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)4-10-9-3(12-4)1-2-11/h11H,1-2H2
InChIKeyAGRSLHDAGCRDPA-UHFFFAOYSA-N
MW182.10 g/mol
LogP0.62
Rot. Bonds2

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

2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol (PubChem CID 130710201) has the molecular formula C5H5F3N2O2 and a molecular weight of 182.10 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol
PubChem CID130710201
Molecular FormulaC5H5F3N2O2
Molecular Weight182.10 g/mol
Exact Mass182.03
IUPAC Name2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol
SMILESOCCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)4-10-9-3(12-4)1-2-11/h11H,1-2H2
InChIKeyAGRSLHDAGCRDPA-UHFFFAOYSA-N
XLogP0.62
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethan-1-ol
CID 83528731
2-(2-Methoxyethyl)-5-trifluoromethyl-1,3,4-oxa-diazole
CID 129747987
5-(Trifluoromethyl)-1,3,4-oxadiazole-2-acetic acid
CID 121256194
2-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 130741991
2-Chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213874
2-Chloro-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213875
2-Bromo-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213878
2-Bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213879
2-Iodo-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213882
2-[2-(2,2-Difluoroethoxy)ethyl]-5-iodo-1,3,4-oxadiazole
CID 103213883
2-(5-Tert-butyl-1,3,4-oxadiazol-2-yl)ethanol
CID 68375114
2-(5-Ethyl-1,3,4-oxadiazol-2-yl)ethanol
CID 68403122

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol?
The IUPAC name of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol (CID 130710201) is 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol is OCCc1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol?
The InChIKey is AGRSLHDAGCRDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2/c6-5(7,8)4-10-9-3(12-4)1-2-11/h11H,1-2H2.
What are the key properties of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol?
2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol has a molecular weight of 182.10 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol is sourced from PubChem (CID 130710201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).